ILN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.31Å | 1.31Å | Aromatic |
| N1 | C4 | sing | 1.34Å | 1.40Å | Aromatic |
| C2 | N6 | sing | 1.36Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C5 | sing | 1.41Å | 1.43Å | Aromatic |
| C4 | N16 | sing | 1.39Å | 1.47Å | |
| C5 | N6 | sing | 1.37Å | 1.43Å | Aromatic |
| C5 | N9 | doub | 1.32Å | 1.34Å | Aromatic |
| N6 | N7 | sing | 1.40Å | 1.35Å | Aromatic |
| N7 | C8 | doub | 1.32Å | 1.33Å | Aromatic |
| C8 | N9 | sing | 1.33Å | 1.38Å | Aromatic |
| C8 | C10 | sing | 1.48Å | 1.46Å | |
| C10 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C10 | C15 | sing | 1.39Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.43Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| N16 | C17 | sing | 1.35Å | 1.42Å | |
| C17 | C18 | sing | 1.47Å | 1.48Å | |
| C17 | O19 | doub | 1.22Å | 1.26Å | |
| C18 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | N23 | sing | 1.36Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.41Å | 1.40Å | Aromatic |
| C20 | C24 | sing | 1.48Å | 1.46Å | |
| C21 | N22 | doub | 1.31Å | 1.32Å | Aromatic |
| N22 | N23 | sing | 1.40Å | 1.35Å | Aromatic |
| N23 | C32 | sing | 1.46Å | 1.51Å | |
| C24 | O25 | doub | 1.22Å | 1.23Å | |
| C24 | N26 | sing | 1.35Å | 1.47Å | |
| N26 | C27 | sing | 1.47Å | 1.50Å | |
| N26 | C31 | sing | 1.47Å | 1.54Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C28 | O29 | sing | 1.43Å | 1.45Å | |
| O29 | C30 | sing | 1.43Å | 1.44Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C27 | H5 | sing | 1.09Å | 1.10Å | |
| C27 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| N16 | H13 | sing | 0.97Å | 1.00Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C30 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| C32 | H18 | sing | 1.09Å | 1.10Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C4 | 121.6° | 121.8° |
| N1 | C2 | N6 | 118.0° | 121.3° |
| N1 | C2 | H9 | 121.0° | 119.3° |
| N1 | C4 | C3 | 123.2° | 120.1° |
| N1 | C4 | N16 | 111.1° | 119.9° |
| C2 | N6 | C5 | 122.4° | 119.9° |
| C2 | N6 | N7 | 127.7° | 133.8° |
| N6 | C2 | H9 | 121.0° | 119.4° |
| C4 | C3 | C5 | 116.8° | 118.3° |
| C3 | C4 | N16 | 125.6° | 120.0° |
| C4 | C3 | H10 | 121.6° | 120.9° |
| C3 | C5 | N6 | 117.7° | 118.6° |
| C3 | C5 | N9 | 133.9° | 133.8° |
| C5 | C3 | H10 | 121.6° | 120.8° |
| C4 | N16 | C17 | 122.5° | 120.0° |
| C4 | N16 | H13 | 118.7° | 120.0° |
| N6 | C5 | N9 | 108.3° | 107.6° |
| C5 | N6 | N7 | 109.9° | 106.3° |
| C5 | N9 | C8 | 102.6° | 109.6° |
| N6 | N7 | C8 | 102.5° | 107.1° |
| N7 | C8 | N9 | 116.7° | 109.5° |
| N7 | C8 | C10 | 119.9° | 125.2° |
| N9 | C8 | C10 | 123.3° | 125.3° |
| C8 | C10 | C11 | 117.7° | 120.2° |
| C8 | C10 | C15 | 120.2° | 120.1° |
| C11 | C10 | C15 | 122.1° | 119.7° |
| C10 | C11 | C12 | 115.6° | 119.9° |
| C10 | C11 | H1 | 122.2° | 120.0° |
| C10 | C15 | C14 | 121.3° | 119.9° |
| C10 | C15 | H3 | 119.3° | 120.1° |
| C11 | C12 | C13 | 122.2° | 120.1° |
| C12 | C11 | H1 | 122.2° | 120.1° |
| C11 | C12 | H11 | 118.9° | 120.0° |
| C12 | C13 | C14 | 120.9° | 120.2° |
| C12 | C13 | H2 | 119.5° | 119.9° |
| C13 | C12 | H11 | 118.9° | 119.9° |
| C13 | C14 | C15 | 117.9° | 120.1° |
| C14 | C13 | H2 | 119.5° | 119.9° |
| C13 | C14 | H12 | 121.0° | 119.9° |
| C14 | C15 | H3 | 119.3° | 120.0° |
| C15 | C14 | H12 | 121.1° | 120.0° |
| N16 | C17 | C18 | 115.6° | 120.0° |
| N16 | C17 | O19 | 119.0° | 119.9° |
| C17 | N16 | H13 | 118.7° | 120.0° |
| C18 | C17 | O19 | 125.4° | 120.0° |
| C17 | C18 | C20 | 133.3° | 126.5° |
| C17 | C18 | N23 | 121.4° | 126.5° |
| C20 | C18 | N23 | 105.3° | 107.0° |
| C18 | C20 | C21 | 107.0° | 107.1° |
| C18 | C20 | C24 | 127.5° | 126.5° |
| C18 | N23 | N22 | 109.9° | 108.1° |
| C18 | N23 | C32 | 122.6° | 125.9° |
| C21 | C20 | C24 | 125.5° | 126.4° |
| C20 | C21 | N22 | 109.4° | 108.6° |
| C20 | C21 | H4 | 125.3° | 125.7° |
| C20 | C24 | O25 | 131.7° | 120.0° |
| C20 | C24 | N26 | 117.2° | 120.0° |
| C21 | N22 | N23 | 108.3° | 109.2° |
| N22 | C21 | H4 | 125.3° | 125.7° |
| N22 | N23 | C32 | 127.4° | 125.9° |
| N23 | C32 | H18 | 109.5° | 109.5° |
| N23 | C32 | H19 | 109.5° | 109.5° |
| N23 | C32 | H20 | 109.5° | 109.5° |
| O25 | C24 | N26 | 111.1° | 120.0° |
| C24 | N26 | C27 | 111.5° | 121.0° |
| C24 | N26 | C31 | 107.3° | 121.0° |
| C27 | N26 | C31 | 120.2° | 118.0° |
| N26 | C27 | C28 | 109.8° | 108.4° |
| N26 | C27 | H5 | 109.4° | 109.7° |
| N26 | C27 | H6 | 109.4° | 109.7° |
| N26 | C31 | C30 | 112.6° | 108.4° |
| N26 | C31 | H16 | 108.7° | 109.7° |
| N26 | C31 | H17 | 108.7° | 109.7° |
| C27 | C28 | O29 | 107.5° | 109.2° |
| C28 | C27 | H5 | 109.4° | 109.6° |
| C28 | C27 | H6 | 109.4° | 109.6° |
| C27 | C28 | H7 | 110.0° | 109.5° |
| C27 | C28 | H8 | 110.0° | 109.5° |
| C28 | O29 | C30 | 111.7° | 114.2° |
| O29 | C28 | H7 | 110.0° | 109.5° |
| O29 | C28 | H8 | 110.0° | 109.5° |
| O29 | C30 | C31 | 101.5° | 109.2° |
| O29 | C30 | H14 | 111.4° | 109.5° |
| O29 | C30 | H15 | 111.5° | 109.5° |
| C31 | C30 | H14 | 111.4° | 109.5° |
| C31 | C30 | H15 | 111.4° | 109.6° |
| C30 | C31 | H16 | 108.7° | 109.7° |
| C30 | C31 | H17 | 108.7° | 109.7° |
| H5 | C27 | H6 | 109.5° | 109.7° |
| H7 | C28 | H8 | 109.5° | 109.5° |
| H14 | C30 | H15 | 109.5° | 109.5° |
| H16 | C31 | H17 | 109.4° | 109.7° |
| H18 | C32 | H19 | 109.4° | 109.4° |
| H18 | C32 | H20 | 109.5° | 109.5° |
| H19 | C32 | H20 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N6 | H9 | 180.0° | 180.0° |
| C2 | N1 | C4 | C3 | 4.2° | 0.0° |
| C2 | N1 | C4 | N16 | 179.0° | 180.0° |
| N1 | C2 | N6 | C5 | 2.7° | 0.0° |
| N1 | C2 | N6 | N7 | 176.1° | 180.0° |
| C4 | N1 | C2 | N6 | 0.4° | 0.0° |
| N1 | C4 | C3 | N16 | 176.3° | 180.0° |
| N1 | C4 | C3 | C5 | 4.5° | 0.0° |
| N1 | C4 | N16 | C17 | 162.4° | 0.0° |
| C4 | N1 | C2 | H9 | 179.6° | 180.0° |
| N1 | C4 | C3 | H10 | 175.5° | 179.9° |
| N1 | C4 | N16 | H13 | 17.6° | 180.0° |
| C2 | N6 | C5 | C3 | 2.2° | 0.1° |
| C2 | N6 | C5 | N7 | 178.9° | 180.0° |
| C2 | N6 | C5 | N9 | 178.8° | 180.0° |
| C2 | N6 | N7 | C8 | 178.8° | 180.0° |
| C4 | C3 | C5 | H10 | 180.0° | 179.9° |
| C4 | C3 | C5 | N6 | 1.3° | 0.1° |
| C4 | C3 | C5 | N9 | 174.2° | 180.0° |
| C3 | C4 | N16 | C17 | 14.3° | 180.0° |
| C3 | C4 | N16 | H13 | 165.7° | 0.0° |
| C5 | C3 | C4 | N16 | 179.2° | 179.9° |
| C3 | C5 | N6 | N9 | 176.6° | 179.9° |
| C3 | C5 | N6 | N7 | 176.7° | 180.0° |
| C3 | C5 | N9 | C8 | 176.0° | 179.9° |
| C4 | N16 | C17 | H13 | 180.0° | 180.0° |
| C4 | N16 | C17 | C18 | 179.7° | 175.0° |
| C4 | N16 | C17 | O19 | 0.7° | 5.0° |
| N16 | C4 | C3 | H10 | 0.9° | 0.1° |
| C5 | N6 | N7 | C8 | 0.1° | 0.0° |
| N6 | C5 | N9 | C8 | 0.1° | 0.0° |
| C5 | N6 | C2 | H9 | 177.3° | 179.9° |
| N6 | C5 | C3 | H10 | 178.6° | 180.0° |
| N9 | C5 | N6 | N7 | 0.1° | 0.0° |
| C5 | N9 | C8 | N7 | 0.0° | 0.0° |
| C5 | N9 | C8 | C10 | 178.1° | 180.0° |
| N9 | C5 | C3 | H10 | 5.8° | 0.2° |
| N6 | N7 | C8 | N9 | 0.0° | 0.0° |
| N6 | N7 | C8 | C10 | 178.1° | 179.9° |
| N7 | N6 | C2 | H9 | 3.9° | 0.0° |
| N7 | C8 | N9 | C10 | 178.0° | 179.9° |
| N7 | C8 | C10 | C11 | 1.6° | 0.1° |
| N7 | C8 | C10 | C15 | 179.3° | 179.8° |
| N9 | C8 | C10 | C11 | 176.3° | 180.0° |
| N9 | C8 | C10 | C15 | 1.3° | 0.3° |
| C8 | C10 | C11 | C15 | 177.6° | 179.7° |
| C8 | C10 | C11 | C12 | 179.9° | 179.7° |
| C8 | C10 | C15 | C14 | 179.5° | 179.7° |
| C8 | C10 | C11 | H1 | 0.1° | 0.3° |
| C8 | C10 | C15 | H3 | 0.5° | 0.3° |
| C10 | C11 | C12 | H1 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.9° | 0.0° |
| C11 | C10 | C15 | C14 | 1.9° | 0.0° |
| C11 | C10 | C15 | H3 | 178.1° | 180.0° |
| C10 | C11 | C12 | H11 | 179.1° | 180.0° |
| C15 | C10 | C11 | C12 | 2.3° | 0.0° |
| C10 | C15 | C14 | C13 | 0.0° | 0.1° |
| C10 | C15 | C14 | H3 | 180.0° | 180.0° |
| C15 | C10 | C11 | H1 | 177.7° | 180.0° |
| C10 | C15 | C14 | H12 | 179.9° | 179.9° |
| C11 | C12 | C13 | H11 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.9° | 0.1° |
| C11 | C12 | C13 | H2 | 179.1° | 180.0° |
| C12 | C13 | C14 | H2 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 1.3° | 0.1° |
| C13 | C12 | C11 | H1 | 179.1° | 179.9° |
| C12 | C13 | C14 | H12 | 178.7° | 180.0° |
| C13 | C14 | C15 | H12 | 180.0° | 179.9° |
| C13 | C14 | C15 | H3 | 180.0° | 180.0° |
| C14 | C13 | C12 | H11 | 179.1° | 180.0° |
| C15 | C14 | C13 | H2 | 178.6° | 180.0° |
| N16 | C17 | C18 | O19 | 178.9° | 179.9° |
| N16 | C17 | C18 | C20 | 35.7° | 99.1° |
| N16 | C17 | C18 | N23 | 146.2° | 80.6° |
| C17 | C18 | C20 | N23 | 178.4° | 179.7° |
| C17 | C18 | C20 | C21 | 179.7° | 180.0° |
| C17 | C18 | C20 | C24 | 2.7° | 0.0° |
| C17 | C18 | N23 | N22 | 179.5° | 179.9° |
| C17 | C18 | N23 | C32 | 3.4° | 0.0° |
| C18 | C17 | N16 | H13 | 0.3° | 5.0° |
| O19 | C17 | C18 | C20 | 145.5° | 80.8° |
| O19 | C17 | C18 | N23 | 32.7° | 99.5° |
| O19 | C17 | N16 | H13 | 179.3° | 175.0° |
| C18 | C20 | C21 | C24 | 177.7° | 180.0° |
| C18 | C20 | C21 | N22 | 0.3° | 0.0° |
| C20 | C18 | N23 | N22 | 1.9° | 0.4° |
| C20 | C18 | N23 | C32 | 175.2° | 179.8° |
| C18 | C20 | C24 | O25 | 23.5° | 47.9° |
| C18 | C20 | C24 | N26 | 159.7° | 132.0° |
| C18 | C20 | C21 | H4 | 179.7° | 180.0° |
| N23 | C18 | C20 | C21 | 1.3° | 0.3° |
| N23 | C18 | C20 | C24 | 179.0° | 179.8° |
| C18 | N23 | N22 | C21 | 1.7° | 0.4° |
| C18 | N23 | N22 | C32 | 176.9° | 179.8° |
| C18 | N23 | C32 | H18 | 176.5° | 94.8° |
| C18 | N23 | C32 | H19 | 56.5° | 145.2° |
| C18 | N23 | C32 | H20 | 63.5° | 25.2° |
| C20 | C21 | N22 | H4 | 180.0° | 180.0° |
| C20 | C21 | N22 | N23 | 0.9° | 0.2° |
| C21 | C20 | C24 | O25 | 153.7° | 132.1° |
| C21 | C20 | C24 | N26 | 23.1° | 48.0° |
| C24 | C20 | C21 | N22 | 178.0° | 180.0° |
| C20 | C24 | O25 | N26 | 177.0° | 179.9° |
| C20 | C24 | N26 | C27 | 56.2° | 176.0° |
| C20 | C24 | N26 | C31 | 170.3° | 4.0° |
| C24 | C20 | C21 | H4 | 2.0° | 0.0° |
| C21 | N22 | N23 | C32 | 175.2° | 179.7° |
| N23 | N22 | C21 | H4 | 179.1° | 179.8° |
| N22 | N23 | C32 | H18 | 0.0° | 85.0° |
| N22 | N23 | C32 | H19 | 120.0° | 35.0° |
| N22 | N23 | C32 | H20 | 120.0° | 154.9° |
| N23 | C32 | H18 | H19 | 120.0° | 120.0° |
| N23 | C32 | H18 | H20 | 120.0° | 120.1° |
| N23 | C32 | H19 | H20 | 120.0° | 120.0° |
| O25 | C24 | N26 | C27 | 126.3° | 3.9° |
| O25 | C24 | N26 | C31 | 7.2° | 176.1° |
| C24 | N26 | C27 | C31 | 126.8° | 180.0° |
| C24 | N26 | C27 | C28 | 98.0° | 129.5° |
| C24 | N26 | C31 | C30 | 94.5° | 129.5° |
| C24 | N26 | C27 | H5 | 22.1° | 110.8° |
| C24 | N26 | C27 | H6 | 142.0° | 9.8° |
| C24 | N26 | C31 | H16 | 145.1° | 110.8° |
| C24 | N26 | C31 | H17 | 26.0° | 9.7° |
| N26 | C27 | C28 | H5 | 120.1° | 119.8° |
| N26 | C27 | C28 | H6 | 120.1° | 119.7° |
| N26 | C27 | C28 | O29 | 44.6° | 52.3° |
| C27 | N26 | C31 | C30 | 34.2° | 50.5° |
| N26 | C27 | H5 | H6 | 119.9° | 120.6° |
| N26 | C27 | C28 | H7 | 75.0° | 67.6° |
| N26 | C27 | C28 | H8 | 164.3° | 172.3° |
| C27 | N26 | C31 | H16 | 86.2° | 69.2° |
| C27 | N26 | C31 | H17 | 154.7° | 170.3° |
| C31 | N26 | C27 | C28 | 28.8° | 50.5° |
| N26 | C31 | C30 | O29 | 52.1° | 52.3° |
| N26 | C31 | C30 | H16 | 120.5° | 119.7° |
| N26 | C31 | C30 | H17 | 120.5° | 119.8° |
| C31 | N26 | C27 | H5 | 148.9° | 69.2° |
| C31 | N26 | C27 | H6 | 91.2° | 170.2° |
| N26 | C31 | C30 | H14 | 66.6° | 67.6° |
| N26 | C31 | C30 | H15 | 170.9° | 172.2° |
| N26 | C31 | H16 | H17 | 118.6° | 120.5° |
| C27 | C28 | O29 | H7 | 119.7° | 119.9° |
| C27 | C28 | O29 | H8 | 119.7° | 119.9° |
| C27 | C28 | O29 | C30 | 75.8° | 62.5° |
| C28 | C27 | H5 | H6 | 119.8° | 120.4° |
| C27 | C28 | H7 | H8 | 120.9° | 120.1° |
| C28 | O29 | C30 | C31 | 77.4° | 62.5° |
| O29 | C28 | C27 | H5 | 164.7° | 67.5° |
| O29 | C28 | C27 | H6 | 75.4° | 172.0° |
| O29 | C28 | H7 | H8 | 120.9° | 120.1° |
| C28 | O29 | C30 | H14 | 41.2° | 57.3° |
| C28 | O29 | C30 | H15 | 163.9° | 177.5° |
| O29 | C30 | C31 | H14 | 118.7° | 119.9° |
| O29 | C30 | C31 | H15 | 118.7° | 120.0° |
| C30 | O29 | C28 | H7 | 43.8° | 57.4° |
| C30 | O29 | C28 | H8 | 164.5° | 177.5° |
| O29 | C30 | H14 | H15 | 123.8° | 120.1° |
| O29 | C30 | C31 | H16 | 68.3° | 67.5° |
| O29 | C30 | C31 | H17 | 172.6° | 172.0° |
| C31 | C30 | H14 | H15 | 123.7° | 120.2° |
| C30 | C31 | H16 | H17 | 118.6° | 120.5° |
| H1 | C11 | C12 | H11 | 0.9° | 0.0° |
| H2 | C13 | C12 | H11 | 0.9° | 0.0° |
| H2 | C13 | C14 | H12 | 1.3° | 0.1° |
| H3 | C15 | C14 | H12 | 0.1° | 0.1° |
| H5 | C27 | C28 | H7 | 45.0° | 172.6° |
| H5 | C27 | C28 | H8 | 75.6° | 52.5° |
| H6 | C27 | C28 | H7 | 164.9° | 52.2° |
| H6 | C27 | C28 | H8 | 44.3° | 68.0° |
| H14 | C30 | C31 | H16 | 173.0° | 172.7° |
| H14 | C30 | C31 | H17 | 53.9° | 52.2° |
| H15 | C30 | C31 | H16 | 50.4° | 52.5° |
| H15 | C30 | C31 | H17 | 68.7° | 68.0° |
| H18 | C32 | H19 | H20 | 120.0° | 120.0° |
