IL9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | doub | 1.32Å | 1.35Å | Aromatic |
| C1 | N6 | sing | 1.32Å | 1.35Å | Aromatic |
| N2 | C3 | sing | 1.32Å | 1.32Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | N7 | sing | 1.40Å | 1.40Å | |
| C5 | N6 | doub | 1.32Å | 1.34Å | Aromatic |
| N7 | C8 | sing | 1.38Å | 1.38Å | |
| C8 | N9 | doub | 1.33Å | 1.36Å | Aromatic |
| C8 | C13 | sing | 1.40Å | 1.44Å | Aromatic |
| N9 | C10 | sing | 1.32Å | 1.35Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C11 | N12 | sing | 1.32Å | 1.34Å | Aromatic |
| C11 | C14 | sing | 1.51Å | 1.48Å | |
| N12 | C13 | doub | 1.33Å | 1.35Å | Aromatic |
| C13 | C15 | sing | 1.48Å | 1.50Å | |
| C14 | C18 | sing | 1.53Å | 1.51Å | |
| C14 | C19 | sing | 1.53Å | 1.52Å | |
| C15 | N16 | sing | 1.35Å | 1.36Å | |
| C15 | O17 | doub | 1.22Å | 1.24Å | |
| N16 | C20 | sing | 1.39Å | 1.40Å | |
| C18 | C19 | sing | 1.53Å | 1.50Å | |
| C20 | C21 | doub | 1.39Å | 1.42Å | Aromatic |
| C20 | C24 | sing | 1.40Å | 1.44Å | Aromatic |
| C21 | N22 | sing | 1.37Å | 1.41Å | Aromatic |
| C21 | C26 | sing | 1.47Å | 1.47Å | |
| N22 | N23 | sing | 1.28Å | 1.32Å | Aromatic |
| N22 | C25 | sing | 1.47Å | 1.45Å | |
| N23 | C24 | doub | 1.31Å | 1.37Å | Aromatic |
| C26 | O27 | doub | 1.22Å | 1.27Å | |
| C26 | N28 | sing | 1.35Å | 1.39Å | |
| N28 | C29 | sing | 1.47Å | 1.45Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C30 | O31 | sing | 1.43Å | 1.42Å | |
| C30 | C32 | sing | 1.53Å | 1.53Å | |
| C30 | C33 | sing | 1.53Å | 1.52Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H4 | sing | 1.09Å | 1.10Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C25 | H7 | sing | 1.09Å | 1.10Å | |
| C25 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| C5 | H12 | sing | 1.08Å | 1.08Å | |
| N7 | H13 | sing | 0.97Å | 1.00Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| N16 | H15 | sing | 0.97Å | 1.00Å | |
| N28 | H16 | sing | 0.97Å | 1.00Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| O31 | H19 | sing | 0.97Å | 0.95Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | N6 | 126.9° | 121.9° |
| C1 | N2 | C3 | 117.5° | 120.9° |
| N2 | C1 | H10 | 116.6° | 119.1° |
| C1 | N6 | C5 | 115.3° | 120.9° |
| N6 | C1 | H10 | 116.6° | 119.0° |
| N2 | C3 | C4 | 121.0° | 119.1° |
| N2 | C3 | H11 | 119.5° | 120.4° |
| C3 | C4 | C5 | 117.0° | 118.2° |
| C3 | C4 | N7 | 120.8° | 120.9° |
| C4 | C3 | H11 | 119.5° | 120.5° |
| C5 | C4 | N7 | 122.2° | 120.9° |
| C4 | C5 | N6 | 122.3° | 119.1° |
| C4 | C5 | H12 | 118.9° | 120.4° |
| C4 | N7 | C8 | 128.3° | 120.0° |
| C4 | N7 | H13 | 115.9° | 120.0° |
| N6 | C5 | H12 | 118.8° | 120.5° |
| N7 | C8 | N9 | 123.3° | 120.2° |
| N7 | C8 | C13 | 117.9° | 120.1° |
| C8 | N7 | H13 | 115.8° | 120.1° |
| N9 | C8 | C13 | 118.8° | 119.6° |
| C8 | N9 | C10 | 118.1° | 120.0° |
| C8 | C13 | N12 | 122.2° | 119.7° |
| C8 | C13 | C15 | 120.8° | 120.2° |
| N9 | C10 | C11 | 122.9° | 120.3° |
| N9 | C10 | H1 | 118.6° | 119.8° |
| C10 | C11 | N12 | 119.4° | 120.4° |
| C10 | C11 | C14 | 120.1° | 119.8° |
| C11 | C10 | H1 | 118.5° | 119.8° |
| N12 | C11 | C14 | 120.5° | 119.9° |
| C11 | N12 | C13 | 118.6° | 120.0° |
| C11 | C14 | C18 | 122.3° | 117.6° |
| C11 | C14 | C19 | 117.0° | 117.6° |
| C11 | C14 | H14 | 115.9° | 115.5° |
| N12 | C13 | C15 | 116.9° | 120.1° |
| C13 | C15 | N16 | 113.0° | 120.0° |
| C13 | C15 | O17 | 124.9° | 120.0° |
| C18 | C14 | C19 | 59.3° | 60.0° |
| C14 | C18 | C19 | 60.4° | 60.0° |
| C14 | C18 | H2 | 119.9° | 117.4° |
| C14 | C18 | H3 | 119.9° | 117.6° |
| C18 | C14 | H14 | 115.2° | 117.5° |
| C14 | C19 | C18 | 60.3° | 60.0° |
| C14 | C19 | H4 | 119.9° | 117.5° |
| C14 | C19 | H5 | 119.9° | 117.5° |
| C19 | C14 | H14 | 115.1° | 117.5° |
| N16 | C15 | O17 | 122.1° | 120.0° |
| C15 | N16 | C20 | 125.2° | 120.0° |
| C15 | N16 | H15 | 117.4° | 120.0° |
| N16 | C20 | C21 | 124.5° | 127.4° |
| N16 | C20 | C24 | 130.5° | 127.4° |
| C20 | N16 | H15 | 117.4° | 120.0° |
| C19 | C18 | H2 | 119.9° | 117.5° |
| C19 | C18 | H3 | 119.9° | 117.5° |
| C18 | C19 | H4 | 120.0° | 117.5° |
| C18 | C19 | H5 | 120.0° | 117.5° |
| C21 | C20 | C24 | 104.9° | 105.1° |
| C20 | C21 | N22 | 106.8° | 106.0° |
| C20 | C21 | C26 | 122.6° | 126.9° |
| C20 | C24 | N23 | 108.1° | 107.9° |
| C20 | C24 | H6 | 126.0° | 126.1° |
| N22 | C21 | C26 | 130.5° | 127.0° |
| C21 | N22 | N23 | 109.9° | 109.7° |
| C21 | N22 | C25 | 127.9° | 125.1° |
| C21 | C26 | O27 | 117.7° | 120.0° |
| C21 | C26 | N28 | 120.5° | 120.0° |
| N23 | N22 | C25 | 122.0° | 125.1° |
| N22 | N23 | C24 | 110.3° | 111.2° |
| N22 | C25 | H7 | 109.5° | 109.5° |
| N22 | C25 | H8 | 109.5° | 109.5° |
| N22 | C25 | H9 | 109.5° | 109.4° |
| N23 | C24 | H6 | 126.0° | 126.1° |
| O27 | C26 | N28 | 121.8° | 120.0° |
| C26 | N28 | C29 | 117.6° | 120.0° |
| C26 | N28 | H16 | 121.2° | 119.9° |
| N28 | C29 | C30 | 109.3° | 109.4° |
| C29 | N28 | H16 | 121.2° | 120.1° |
| N28 | C29 | H17 | 109.5° | 109.4° |
| N28 | C29 | H18 | 109.5° | 109.5° |
| C29 | C30 | O31 | 106.2° | 109.5° |
| C29 | C30 | C32 | 111.0° | 109.5° |
| C29 | C30 | C33 | 110.7° | 109.5° |
| C30 | C29 | H17 | 109.5° | 109.5° |
| C30 | C29 | H18 | 109.5° | 109.5° |
| O31 | C30 | C32 | 106.8° | 109.5° |
| O31 | C30 | C33 | 110.2° | 109.5° |
| C30 | O31 | H19 | 109.5° | 114.0° |
| C32 | C30 | C33 | 111.8° | 109.5° |
| C30 | C32 | H20 | 109.5° | 109.5° |
| C30 | C32 | H21 | 109.5° | 109.5° |
| C30 | C32 | H22 | 109.5° | 109.5° |
| C30 | C33 | H23 | 109.5° | 109.5° |
| C30 | C33 | H24 | 109.5° | 109.5° |
| C30 | C33 | H25 | 109.4° | 109.4° |
| H2 | C18 | H3 | 109.5° | 115.6° |
| H4 | C19 | H5 | 109.5° | 115.5° |
| H7 | C25 | H8 | 109.5° | 109.5° |
| H7 | C25 | H9 | 109.5° | 109.5° |
| H8 | C25 | H9 | 109.5° | 109.4° |
| H17 | C29 | H18 | 109.4° | 109.5° |
| H20 | C32 | H21 | 109.4° | 109.5° |
| H20 | C32 | H22 | 109.5° | 109.4° |
| H21 | C32 | H22 | 109.5° | 109.4° |
| H23 | C33 | H24 | 109.5° | 109.5° |
| H23 | C33 | H25 | 109.5° | 109.5° |
| H24 | C33 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | N6 | H10 | 180.0° | 179.8° |
| C1 | N2 | C3 | C4 | 0.8° | 0.0° |
| N2 | C1 | N6 | C5 | 1.6° | 0.0° |
| C1 | N2 | C3 | H11 | 179.2° | 180.0° |
| N6 | C1 | N2 | C3 | 0.6° | 0.0° |
| C1 | N6 | C5 | C4 | 2.9° | 0.0° |
| C1 | N6 | C5 | H12 | 177.1° | 180.0° |
| N2 | C3 | C4 | H11 | 180.0° | 180.0° |
| N2 | C3 | C4 | C5 | 2.1° | 0.0° |
| N2 | C3 | C4 | N7 | 180.0° | 180.0° |
| C3 | N2 | C1 | H10 | 179.4° | 179.7° |
| C3 | C4 | C5 | N7 | 177.9° | 180.0° |
| C3 | C4 | C5 | N6 | 3.2° | 0.0° |
| C3 | C4 | N7 | C8 | 6.2° | 168.4° |
| C3 | C4 | C5 | H12 | 176.8° | 180.0° |
| C3 | C4 | N7 | H13 | 173.7° | 11.7° |
| C4 | C5 | N6 | H12 | 180.0° | 179.9° |
| C5 | C4 | N7 | C8 | 171.6° | 11.7° |
| C5 | C4 | C3 | H11 | 177.9° | 179.9° |
| C5 | C4 | N7 | H13 | 8.5° | 168.3° |
| N7 | C4 | C5 | N6 | 178.9° | 180.0° |
| C4 | N7 | C8 | H13 | 180.0° | 179.9° |
| C4 | N7 | C8 | N9 | 11.6° | 7.3° |
| C4 | N7 | C8 | C13 | 169.3° | 173.3° |
| N7 | C4 | C3 | H11 | 0.0° | 0.0° |
| N7 | C4 | C5 | H12 | 1.1° | 0.1° |
| C5 | N6 | C1 | H10 | 178.4° | 179.8° |
| N7 | C8 | N9 | C13 | 179.1° | 179.5° |
| N7 | C8 | N9 | C10 | 179.5° | 180.0° |
| N7 | C8 | C13 | N12 | 177.9° | 179.8° |
| N7 | C8 | C13 | C15 | 1.7° | 0.6° |
| C8 | N9 | C10 | C11 | 3.3° | 0.0° |
| N9 | C8 | C13 | N12 | 1.2° | 0.7° |
| N9 | C8 | C13 | C15 | 177.4° | 180.0° |
| C8 | N9 | C10 | H1 | 176.7° | 179.8° |
| N9 | C8 | N7 | H13 | 168.4° | 172.8° |
| C13 | C8 | N9 | C10 | 1.4° | 0.5° |
| C8 | C13 | N12 | C11 | 2.0° | 0.4° |
| C8 | C13 | N12 | C15 | 176.3° | 179.2° |
| C8 | C13 | C15 | N16 | 169.0° | 176.7° |
| C8 | C13 | C15 | O17 | 9.0° | 3.3° |
| C13 | C8 | N7 | H13 | 10.7° | 6.7° |
| N9 | C10 | C11 | H1 | 180.0° | 179.8° |
| N9 | C10 | C11 | N12 | 2.5° | 0.3° |
| N9 | C10 | C11 | C14 | 179.4° | 179.8° |
| C10 | C11 | N12 | C14 | 178.1° | 179.9° |
| C10 | C11 | N12 | C13 | 0.2° | 0.0° |
| C10 | C11 | C14 | C18 | 177.1° | 85.0° |
| C10 | C11 | C14 | C19 | 113.8° | 16.4° |
| C10 | C11 | C14 | H14 | 27.2° | 129.3° |
| C11 | N12 | C13 | C15 | 178.3° | 179.7° |
| N12 | C11 | C14 | C18 | 4.9° | 94.9° |
| N12 | C11 | C14 | C19 | 64.3° | 163.6° |
| N12 | C11 | C10 | H1 | 177.5° | 180.0° |
| N12 | C11 | C14 | H14 | 154.7° | 50.7° |
| C14 | C11 | N12 | C13 | 177.9° | 180.0° |
| C11 | C14 | C18 | C19 | 104.5° | 107.5° |
| C11 | C14 | C18 | H14 | 150.0° | 145.0° |
| C11 | C14 | C19 | H14 | 141.3° | 145.0° |
| C14 | C11 | C10 | H1 | 0.6° | 0.0° |
| C11 | C14 | C18 | H2 | 145.9° | 0.1° |
| C11 | C14 | C18 | H3 | 5.1° | 145.0° |
| C11 | C14 | C19 | H4 | 3.6° | 145.0° |
| C11 | C14 | C19 | H5 | 137.2° | 0.0° |
| N12 | C13 | C15 | N16 | 7.4° | 4.0° |
| N12 | C13 | C15 | O17 | 174.6° | 176.0° |
| C13 | C15 | N16 | O17 | 178.0° | 180.0° |
| C13 | C15 | N16 | C20 | 177.9° | 180.0° |
| C13 | C15 | N16 | H15 | 2.1° | 0.0° |
| C18 | C14 | C19 | H14 | 105.5° | 107.5° |
| C14 | C18 | C19 | H2 | 109.6° | 107.4° |
| C14 | C18 | C19 | H3 | 109.6° | 107.6° |
| C14 | C18 | H2 | H3 | 144.5° | 145.7° |
| C18 | C14 | C19 | H4 | 109.6° | 107.5° |
| C18 | C14 | C19 | H5 | 109.6° | 107.5° |
| C14 | C19 | H4 | H5 | 144.5° | 145.6° |
| C15 | N16 | C20 | H15 | 180.0° | 179.9° |
| C15 | N16 | C20 | C21 | 162.1° | 180.0° |
| C15 | N16 | C20 | C24 | 16.8° | 0.3° |
| O17 | C15 | N16 | C20 | 0.1° | 0.0° |
| O17 | C15 | N16 | H15 | 179.9° | 179.9° |
| N16 | C20 | C21 | C24 | 179.2° | 179.7° |
| N16 | C20 | C21 | N22 | 178.5° | 179.7° |
| N16 | C20 | C21 | C26 | 4.4° | 0.2° |
| N16 | C20 | C24 | N23 | 177.3° | 179.7° |
| N16 | C20 | C24 | H6 | 2.7° | 0.2° |
| C19 | C18 | H2 | H3 | 144.5° | 145.7° |
| C18 | C19 | H4 | H5 | 144.6° | 145.7° |
| C20 | C21 | N22 | C26 | 176.8° | 179.9° |
| C20 | C21 | N22 | N23 | 0.7° | 0.0° |
| C20 | C21 | N22 | C25 | 174.0° | 180.0° |
| C21 | C20 | C24 | N23 | 1.8° | 0.0° |
| C20 | C21 | C26 | O27 | 28.2° | 79.7° |
| C20 | C21 | C26 | N28 | 149.0° | 100.3° |
| C21 | C20 | C24 | H6 | 178.2° | 179.9° |
| C21 | C20 | N16 | H15 | 17.9° | 0.1° |
| C24 | C20 | C21 | N22 | 0.7° | 0.0° |
| C24 | C20 | C21 | C26 | 176.4° | 180.0° |
| C20 | C24 | N23 | N22 | 2.4° | 0.0° |
| C20 | C24 | N23 | H6 | 180.0° | 179.9° |
| C24 | C20 | N16 | H15 | 163.2° | 179.7° |
| C21 | N22 | N23 | C25 | 175.1° | 180.0° |
| C21 | N22 | N23 | C24 | 1.9° | 0.0° |
| N22 | C21 | C26 | O27 | 148.1° | 100.4° |
| N22 | C21 | C26 | N28 | 34.6° | 79.6° |
| C21 | N22 | C25 | H7 | 174.2° | 95.1° |
| C21 | N22 | C25 | H8 | 54.2° | 144.9° |
| C21 | N22 | C25 | H9 | 65.8° | 24.9° |
| C26 | C21 | N22 | N23 | 177.5° | 180.0° |
| C26 | C21 | N22 | C25 | 2.7° | 0.1° |
| C21 | C26 | O27 | N28 | 177.2° | 180.0° |
| C21 | C26 | N28 | C29 | 166.1° | 175.1° |
| C21 | C26 | N28 | H16 | 13.9° | 5.0° |
| N22 | N23 | C24 | H6 | 177.6° | 179.9° |
| N23 | N22 | C25 | H7 | 0.0° | 84.9° |
| N23 | N22 | C25 | H8 | 120.0° | 35.1° |
| N23 | N22 | C25 | H9 | 120.0° | 155.1° |
| C25 | N22 | N23 | C24 | 173.2° | 180.0° |
| N22 | C25 | H7 | H8 | 120.0° | 120.1° |
| N22 | C25 | H7 | H9 | 120.0° | 120.0° |
| N22 | C25 | H8 | H9 | 120.0° | 120.0° |
| O27 | C26 | N28 | C29 | 11.0° | 4.9° |
| O27 | C26 | N28 | H16 | 169.0° | 175.0° |
| C26 | N28 | C29 | H16 | 180.0° | 179.9° |
| C26 | N28 | C29 | C30 | 113.7° | 180.0° |
| C26 | N28 | C29 | H17 | 6.3° | 60.1° |
| C26 | N28 | C29 | H18 | 126.3° | 60.0° |
| N28 | C29 | C30 | H17 | 120.0° | 119.9° |
| N28 | C29 | C30 | H18 | 120.0° | 120.0° |
| N28 | C29 | C30 | O31 | 54.9° | 65.0° |
| N28 | C29 | C30 | C32 | 60.8° | 175.0° |
| N28 | C29 | C30 | C33 | 174.4° | 55.0° |
| N28 | C29 | H17 | H18 | 120.1° | 120.0° |
| C29 | C30 | O31 | C32 | 118.5° | 120.0° |
| C29 | C30 | O31 | C33 | 119.9° | 120.0° |
| C29 | C30 | C32 | C33 | 124.1° | 120.0° |
| C30 | C29 | N28 | H16 | 66.3° | 0.0° |
| C30 | C29 | H17 | H18 | 120.1° | 120.0° |
| C29 | C30 | O31 | H19 | 180.0° | 180.0° |
| C29 | C30 | C32 | H20 | 180.0° | 60.0° |
| C29 | C30 | C32 | H21 | 60.0° | 180.0° |
| C29 | C30 | C32 | H22 | 60.0° | 60.0° |
| C29 | C30 | C33 | H23 | 180.0° | 60.0° |
| C29 | C30 | C33 | H24 | 60.0° | 180.0° |
| C29 | C30 | C33 | H25 | 60.0° | 60.0° |
| O31 | C30 | C32 | C33 | 120.6° | 120.0° |
| O31 | C30 | C29 | H17 | 174.9° | 55.0° |
| O31 | C30 | C29 | H18 | 65.1° | 175.0° |
| O31 | C30 | C32 | H20 | 64.7° | 180.0° |
| O31 | C30 | C32 | H21 | 55.3° | 60.0° |
| O31 | C30 | C32 | H22 | 175.3° | 60.0° |
| O31 | C30 | C33 | H23 | 62.9° | 60.0° |
| O31 | C30 | C33 | H24 | 177.1° | 60.0° |
| O31 | C30 | C33 | H25 | 57.1° | 180.0° |
| C32 | C30 | C29 | H17 | 59.2° | 65.0° |
| C32 | C30 | C29 | H18 | 179.2° | 55.0° |
| C32 | C30 | O31 | H19 | 61.5° | 60.0° |
| C30 | C32 | H20 | H21 | 120.0° | 120.0° |
| C30 | C32 | H20 | H22 | 120.0° | 120.0° |
| C30 | C32 | H21 | H22 | 120.0° | 120.0° |
| C32 | C30 | C33 | H23 | 55.8° | 179.9° |
| C32 | C30 | C33 | H24 | 64.2° | 60.0° |
| C32 | C30 | C33 | H25 | 175.8° | 60.0° |
| C33 | C30 | C29 | H17 | 65.6° | 174.9° |
| C33 | C30 | C29 | H18 | 54.5° | 65.0° |
| C33 | C30 | O31 | H19 | 60.1° | 60.0° |
| C33 | C30 | C32 | H20 | 55.9° | 60.0° |
| C33 | C30 | C32 | H21 | 175.9° | 60.0° |
| C33 | C30 | C32 | H22 | 64.1° | 180.0° |
| C30 | C33 | H23 | H24 | 120.0° | 120.0° |
| C30 | C33 | H23 | H25 | 120.0° | 119.9° |
| C30 | C33 | H24 | H25 | 120.0° | 119.9° |
| H2 | C18 | C19 | H4 | 140.9° | 145.1° |
| H2 | C18 | C19 | H5 | 0.0° | 0.0° |
| H2 | C18 | C14 | H14 | 4.1° | 145.0° |
| H3 | C18 | C19 | H4 | 0.0° | 0.0° |
| H3 | C18 | C19 | H5 | 140.9° | 145.0° |
| H3 | C18 | C14 | H14 | 144.9° | 0.0° |
| H4 | C19 | C14 | H14 | 144.9° | 0.1° |
| H5 | C19 | C14 | H14 | 4.0° | 145.0° |
| H7 | C25 | H8 | H9 | 120.0° | 120.0° |
| H16 | N28 | C29 | H17 | 173.7° | 120.0° |
| H16 | N28 | C29 | H18 | 53.7° | 120.0° |
| H20 | C32 | H21 | H22 | 120.0° | 119.9° |
| H23 | C33 | H24 | H25 | 120.0° | 120.0° |
