4LN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C13 | doub | 1.22Å | 1.23Å | |
| C12 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C13 | N2 | sing | 1.35Å | 1.35Å | |
| C13 | C14 | sing | 1.48Å | 1.49Å | |
| C9 | N2 | sing | 1.46Å | 1.47Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C11 | C6 | sing | 1.51Å | 1.50Å | |
| C15 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.50Å | |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | N1 | doub | 1.31Å | 1.37Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C5 | doub | 1.37Å | 1.38Å | Aromatic |
| N1 | N | sing | 1.39Å | 1.36Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | N3 | sing | 1.40Å | 1.43Å | |
| C21 | N3 | sing | 1.36Å | 1.36Å | Aromatic |
| C21 | N5 | doub | 1.31Å | 1.30Å | Aromatic |
| N3 | C20 | sing | 1.36Å | 1.36Å | Aromatic |
| C5 | N | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.42Å | Aromatic |
| N | C1 | sing | 1.37Å | 1.38Å | Aromatic |
| N5 | N4 | sing | 1.29Å | 1.39Å | Aromatic |
| O1 | C4 | sing | 1.36Å | 1.36Å | |
| C4 | C3 | doub | 1.37Å | 1.38Å | Aromatic |
| C20 | N4 | doub | 1.30Å | 1.30Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.49Å | |
| C1 | C2 | doub | 1.36Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| O1 | H21 | sing | 0.97Å | 0.95Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C13 | N2 | 123.2° | 120.0° |
| O | C13 | C14 | 120.6° | 120.0° |
| C12 | C9 | C10 | 109.8° | 109.4° |
| C12 | C9 | N2 | 110.0° | 109.5° |
| C12 | C9 | C8 | 110.8° | 109.5° |
| C9 | C12 | H13 | 109.5° | 109.5° |
| C9 | C12 | H12 | 109.5° | 109.5° |
| C9 | C12 | H11 | 109.5° | 109.4° |
| C9 | C10 | C11 | 112.7° | 109.6° |
| C10 | C9 | N2 | 110.1° | 109.4° |
| C10 | C9 | C8 | 108.9° | 109.6° |
| C9 | C10 | H8 | 108.7° | 109.5° |
| C9 | C10 | H7 | 108.7° | 109.4° |
| C10 | C11 | C6 | 108.2° | 108.4° |
| C11 | C10 | H8 | 108.7° | 109.5° |
| C11 | C10 | H7 | 108.7° | 109.4° |
| C10 | C11 | H10 | 109.8° | 109.7° |
| C10 | C11 | H9 | 109.8° | 109.7° |
| N2 | C13 | C14 | 116.2° | 120.0° |
| C13 | N2 | C9 | 127.2° | 120.0° |
| C13 | N2 | H14 | 116.4° | 120.0° |
| C13 | C14 | C15 | 120.2° | 120.1° |
| C13 | C14 | C19 | 120.9° | 120.1° |
| N2 | C9 | C8 | 107.2° | 109.5° |
| C9 | N2 | H14 | 116.4° | 120.0° |
| C9 | C8 | C7 | 110.3° | 108.4° |
| C9 | C8 | H5 | 109.2° | 109.7° |
| C9 | C8 | H6 | 109.3° | 109.7° |
| C11 | C6 | C7 | 124.6° | 123.5° |
| C11 | C6 | N1 | 124.5° | 127.4° |
| C6 | C11 | H10 | 109.8° | 109.7° |
| C6 | C11 | H9 | 109.8° | 109.7° |
| C14 | C15 | C16 | 120.7° | 119.9° |
| C15 | C14 | C19 | 118.8° | 119.8° |
| C14 | C15 | H15 | 119.6° | 120.0° |
| C15 | C16 | C17 | 120.0° | 120.1° |
| C15 | C16 | H16 | 120.0° | 120.0° |
| C16 | C15 | H15 | 119.7° | 120.0° |
| C14 | C19 | C18 | 120.7° | 119.9° |
| C14 | C19 | H18 | 119.7° | 120.0° |
| C8 | C7 | C6 | 122.5° | 123.6° |
| C8 | C7 | C5 | 130.5° | 128.8° |
| C7 | C8 | H5 | 109.3° | 109.7° |
| C7 | C8 | H6 | 109.3° | 109.6° |
| C16 | C17 | C18 | 119.9° | 120.1° |
| C16 | C17 | N3 | 120.1° | 119.9° |
| C17 | C16 | H16 | 120.0° | 119.9° |
| C7 | C6 | N1 | 110.9° | 109.1° |
| C6 | C7 | C5 | 107.0° | 107.6° |
| C6 | N1 | N | 104.7° | 108.7° |
| C19 | C18 | C17 | 120.0° | 120.1° |
| C18 | C19 | H18 | 119.7° | 120.1° |
| C19 | C18 | H17 | 120.0° | 119.9° |
| C7 | C5 | N | 105.2° | 107.1° |
| C7 | C5 | C4 | 135.0° | 131.8° |
| N1 | N | C5 | 112.3° | 107.6° |
| N1 | N | C1 | 126.5° | 130.9° |
| C18 | C17 | N3 | 120.1° | 120.0° |
| C17 | C18 | H17 | 120.0° | 120.0° |
| C17 | N3 | C21 | 127.7° | 127.1° |
| C17 | N3 | C20 | 128.0° | 127.2° |
| N3 | C21 | N5 | 110.9° | 107.3° |
| C21 | N3 | C20 | 104.3° | 105.7° |
| N3 | C21 | H20 | 124.5° | 126.4° |
| C21 | N5 | N4 | 107.0° | 109.9° |
| N5 | C21 | H20 | 124.5° | 126.3° |
| N3 | C20 | N4 | 111.0° | 107.3° |
| N3 | C20 | H19 | 124.5° | 126.4° |
| N | C5 | C4 | 119.7° | 121.1° |
| C5 | N | C1 | 121.2° | 121.5° |
| C5 | C4 | O1 | 119.3° | 121.8° |
| C5 | C4 | C3 | 118.4° | 116.4° |
| N | C1 | C | 120.1° | 121.1° |
| N | C1 | C2 | 117.8° | 117.9° |
| N5 | N4 | C20 | 106.8° | 109.9° |
| O1 | C4 | C3 | 122.3° | 121.8° |
| C4 | O1 | H21 | 109.5° | 114.0° |
| C4 | C3 | C2 | 120.5° | 121.0° |
| C4 | C3 | H4 | 119.8° | 119.5° |
| N4 | C20 | H19 | 124.5° | 126.4° |
| C | C1 | C2 | 122.1° | 121.0° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H1 | 109.5° | 109.5° |
| C1 | C | H | 109.4° | 109.5° |
| C1 | C2 | C3 | 122.4° | 122.1° |
| C1 | C2 | H3 | 118.8° | 119.0° |
| C2 | C3 | H4 | 119.7° | 119.5° |
| C3 | C2 | H3 | 118.8° | 119.0° |
| H13 | C12 | H12 | 109.5° | 109.4° |
| H13 | C12 | H11 | 109.5° | 109.5° |
| H12 | C12 | H11 | 109.5° | 109.5° |
| H5 | C8 | H6 | 109.5° | 109.7° |
| H8 | C10 | H7 | 109.4° | 109.4° |
| H10 | C11 | H9 | 109.5° | 109.7° |
| H2 | C | H1 | 109.5° | 109.4° |
| H2 | C | H | 109.5° | 109.5° |
| H1 | C | H | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C13 | N2 | C14 | 179.2° | 179.7° |
| O | C13 | N2 | C9 | 2.7° | 0.0° |
| O | C13 | C14 | C15 | 51.0° | 179.7° |
| O | C13 | C14 | C19 | 125.0° | 0.1° |
| O | C13 | N2 | H14 | 177.3° | 180.0° |
| C12 | C9 | C10 | N2 | 121.3° | 119.9° |
| C12 | C9 | C10 | C8 | 121.4° | 120.0° |
| C12 | C9 | C10 | C11 | 171.7° | 168.6° |
| C12 | C9 | N2 | C13 | 62.0° | 60.1° |
| C12 | C9 | N2 | C8 | 120.5° | 120.0° |
| C12 | C9 | C8 | C7 | 169.9° | 170.5° |
| C12 | C9 | N2 | H14 | 118.0° | 119.9° |
| C9 | C12 | H13 | H12 | 120.0° | 120.0° |
| C9 | C12 | H13 | H11 | 120.0° | 120.0° |
| C9 | C12 | H12 | H11 | 120.0° | 120.0° |
| C12 | C9 | C8 | H5 | 49.8° | 50.7° |
| C12 | C9 | C8 | H6 | 69.9° | 69.8° |
| C12 | C9 | C10 | H8 | 51.2° | 48.5° |
| C12 | C9 | C10 | H7 | 67.8° | 71.4° |
| C9 | C10 | C11 | H8 | 120.5° | 120.1° |
| C9 | C10 | C11 | H7 | 120.5° | 120.0° |
| C10 | C9 | N2 | C13 | 59.1° | 59.9° |
| C10 | C9 | N2 | C8 | 118.4° | 120.1° |
| C9 | C10 | C11 | C6 | 48.3° | 50.6° |
| C10 | C9 | C8 | C7 | 49.1° | 50.4° |
| C10 | C9 | N2 | H14 | 120.9° | 120.1° |
| C10 | C9 | C12 | H13 | 180.0° | 179.9° |
| C10 | C9 | C12 | H12 | 60.0° | 60.1° |
| C10 | C9 | C12 | H11 | 60.0° | 59.9° |
| C10 | C9 | C8 | H5 | 71.0° | 69.3° |
| C10 | C9 | C8 | H6 | 169.2° | 170.1° |
| C9 | C10 | H8 | H7 | 118.5° | 119.9° |
| C9 | C10 | C11 | H10 | 71.5° | 69.1° |
| C9 | C10 | C11 | H9 | 168.1° | 170.3° |
| C11 | C10 | C9 | N2 | 50.5° | 48.7° |
| C11 | C10 | C9 | C8 | 66.8° | 71.3° |
| C10 | C11 | C6 | H10 | 119.8° | 119.7° |
| C10 | C11 | C6 | H9 | 119.8° | 119.7° |
| C10 | C11 | C6 | C7 | 17.8° | 16.8° |
| C10 | C11 | C6 | N1 | 164.0° | 163.2° |
| C11 | C10 | H8 | H7 | 118.5° | 119.9° |
| C10 | C11 | H10 | H9 | 120.6° | 120.6° |
| C13 | N2 | C9 | H14 | 180.0° | 180.0° |
| C13 | N2 | C9 | C8 | 177.5° | 180.0° |
| N2 | C13 | C14 | C15 | 128.2° | 0.0° |
| N2 | C13 | C14 | C19 | 55.8° | 179.8° |
| C14 | C13 | N2 | C9 | 178.1° | 179.7° |
| C13 | C14 | C15 | C19 | 176.0° | 179.8° |
| C13 | C14 | C15 | C16 | 175.3° | 179.8° |
| C13 | C14 | C19 | C18 | 174.5° | 179.9° |
| C13 | C14 | C19 | H18 | 5.5° | 0.0° |
| C13 | C14 | C15 | H15 | 4.7° | 0.0° |
| C14 | C13 | N2 | H14 | 1.9° | 0.3° |
| N2 | C9 | C8 | C7 | 70.0° | 69.5° |
| N2 | C9 | C12 | H13 | 58.7° | 60.0° |
| N2 | C9 | C12 | H12 | 178.7° | 180.0° |
| N2 | C9 | C12 | H11 | 61.3° | 60.0° |
| N2 | C9 | C8 | H5 | 169.9° | 170.7° |
| N2 | C9 | C8 | H6 | 50.1° | 50.1° |
| N2 | C9 | C10 | H8 | 70.0° | 71.4° |
| N2 | C9 | C10 | H7 | 170.9° | 168.7° |
| C9 | C8 | C7 | H5 | 120.1° | 119.8° |
| C9 | C8 | C7 | H6 | 120.1° | 119.7° |
| C9 | C8 | C7 | C6 | 20.6° | 16.7° |
| C9 | C8 | C7 | C5 | 162.3° | 163.3° |
| C8 | C9 | N2 | H14 | 2.5° | 0.0° |
| C8 | C9 | C12 | H13 | 59.7° | 59.9° |
| C8 | C9 | C12 | H12 | 60.3° | 60.0° |
| C8 | C9 | C12 | H11 | 179.7° | 180.0° |
| C9 | C8 | H5 | H6 | 119.6° | 120.6° |
| C8 | C9 | C10 | H8 | 172.7° | 168.6° |
| C8 | C9 | C10 | H7 | 53.6° | 48.7° |
| C11 | C6 | C7 | C8 | 4.9° | 0.1° |
| C11 | C6 | C7 | N1 | 178.4° | 180.0° |
| C11 | C6 | C7 | C5 | 177.4° | 179.9° |
| C11 | C6 | N1 | N | 178.0° | 179.9° |
| C6 | C11 | C10 | H8 | 168.8° | 170.7° |
| C6 | C11 | C10 | H7 | 72.2° | 69.4° |
| C6 | C11 | H10 | H9 | 120.5° | 120.5° |
| C14 | C15 | C16 | H15 | 180.0° | 179.8° |
| C14 | C15 | C16 | C17 | 0.5° | 0.5° |
| C15 | C14 | C19 | C18 | 1.5° | 0.1° |
| C15 | C14 | C19 | H18 | 178.5° | 179.8° |
| C14 | C15 | C16 | H16 | 179.5° | 179.8° |
| C16 | C15 | C14 | C19 | 0.7° | 0.4° |
| C15 | C16 | C17 | H16 | 180.0° | 179.8° |
| C15 | C16 | C17 | C18 | 1.0° | 0.2° |
| C15 | C16 | C17 | N3 | 177.7° | 179.7° |
| C14 | C19 | C18 | H18 | 180.0° | 180.0° |
| C14 | C19 | C18 | C17 | 1.1° | 0.1° |
| C14 | C19 | C18 | H17 | 178.9° | 180.0° |
| C19 | C14 | C15 | H15 | 179.3° | 179.7° |
| C8 | C7 | C6 | C5 | 177.7° | 180.0° |
| C8 | C7 | C6 | N1 | 176.7° | 179.9° |
| C8 | C7 | C5 | N | 176.3° | 179.9° |
| C8 | C7 | C5 | C4 | 6.9° | 0.1° |
| C7 | C8 | H5 | H6 | 119.6° | 120.5° |
| C16 | C17 | C18 | C19 | 0.2° | 0.1° |
| C16 | C17 | C18 | N3 | 178.7° | 179.9° |
| C16 | C17 | N3 | C21 | 37.8° | 179.7° |
| C16 | C17 | N3 | C20 | 142.6° | 0.1° |
| C16 | C17 | C18 | H17 | 179.9° | 179.9° |
| C17 | C16 | C15 | H15 | 179.5° | 179.7° |
| C7 | C6 | N1 | N | 0.5° | 0.1° |
| C6 | C7 | C5 | N | 1.1° | 0.1° |
| C6 | C7 | C5 | C4 | 175.7° | 179.9° |
| C6 | C7 | C8 | H5 | 99.5° | 103.1° |
| C6 | C7 | C8 | H6 | 140.7° | 136.4° |
| C7 | C6 | C11 | H10 | 102.0° | 102.9° |
| C7 | C6 | C11 | H9 | 137.7° | 136.5° |
| N1 | C6 | C7 | C5 | 1.0° | 0.1° |
| C6 | N1 | N | C5 | 0.2° | 0.0° |
| C6 | N1 | N | C1 | 179.4° | 179.9° |
| N1 | C6 | C11 | H10 | 76.2° | 77.1° |
| N1 | C6 | C11 | H9 | 44.1° | 43.5° |
| C19 | C18 | C17 | H17 | 180.0° | 179.8° |
| C19 | C18 | C17 | N3 | 178.6° | 180.0° |
| C7 | C5 | N | N1 | 0.8° | 0.0° |
| C7 | C5 | N | C4 | 177.3° | 180.0° |
| C7 | C5 | N | C1 | 179.9° | 180.0° |
| C7 | C5 | C4 | O1 | 1.6° | 0.0° |
| C7 | C5 | C4 | C3 | 178.5° | 180.0° |
| C5 | C7 | C8 | H5 | 77.6° | 76.9° |
| C5 | C7 | C8 | H6 | 42.2° | 43.6° |
| N1 | N | C5 | C1 | 179.3° | 180.0° |
| N1 | N | C5 | C4 | 176.5° | 180.0° |
| N1 | N | C1 | C | 5.0° | 0.0° |
| N1 | N | C1 | C2 | 176.6° | 180.0° |
| C18 | C17 | N3 | C21 | 140.9° | 0.2° |
| C18 | C17 | N3 | C20 | 38.7° | 180.0° |
| C17 | C18 | C19 | H18 | 178.9° | 179.9° |
| C18 | C17 | C16 | H16 | 179.1° | 179.9° |
| C17 | N3 | C21 | C20 | 179.6° | 179.8° |
| C17 | N3 | C21 | N5 | 179.7° | 179.9° |
| C17 | N3 | C20 | N4 | 179.7° | 179.8° |
| N3 | C17 | C18 | H17 | 1.4° | 0.2° |
| C17 | N3 | C21 | H20 | 0.3° | 0.0° |
| C17 | N3 | C20 | H19 | 0.3° | 0.1° |
| N3 | C17 | C16 | H16 | 2.2° | 0.1° |
| N3 | C21 | N5 | H20 | 180.0° | 180.0° |
| N3 | C21 | N5 | N4 | 0.0° | 0.0° |
| C21 | N3 | C20 | N4 | 0.0° | 0.4° |
| C21 | N3 | C20 | H19 | 179.9° | 179.7° |
| N5 | C21 | N3 | C20 | 0.0° | 0.3° |
| C21 | N5 | N4 | C20 | 0.0° | 0.2° |
| N3 | C20 | N4 | N5 | 0.0° | 0.4° |
| N3 | C20 | N4 | H19 | 180.0° | 180.0° |
| C20 | N3 | C21 | H20 | 179.9° | 179.8° |
| N | C5 | C4 | O1 | 174.7° | 180.0° |
| N | C5 | C4 | C3 | 2.2° | 0.0° |
| C5 | N | C1 | C | 175.9° | 180.0° |
| C5 | N | C1 | C2 | 2.6° | 0.0° |
| C4 | C5 | N | C1 | 2.8° | 0.0° |
| C5 | C4 | O1 | C3 | 176.8° | 180.0° |
| C5 | C4 | C3 | C2 | 1.5° | 0.1° |
| C5 | C4 | O1 | H21 | 180.0° | 180.0° |
| C5 | C4 | C3 | H4 | 178.5° | 180.0° |
| N | C1 | C | C2 | 178.4° | 180.0° |
| N | C1 | C2 | C3 | 1.9° | 0.1° |
| N | C1 | C2 | H3 | 178.1° | 179.9° |
| N | C1 | C | H2 | 89.2° | 90.0° |
| N | C1 | C | H1 | 150.7° | 150.0° |
| N | C1 | C | H | 30.8° | 30.0° |
| N4 | N5 | C21 | H20 | 179.9° | 180.0° |
| N5 | N4 | C20 | H19 | 179.9° | 179.7° |
| O1 | C4 | C3 | C2 | 175.3° | 180.0° |
| O1 | C4 | C3 | H4 | 4.7° | 0.0° |
| C4 | C3 | C2 | C1 | 1.5° | 0.1° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C3 | C4 | O1 | H21 | 3.3° | 0.0° |
| C4 | C3 | C2 | H3 | 178.5° | 180.0° |
| C | C1 | C2 | C3 | 176.5° | 179.9° |
| C | C1 | C2 | H3 | 3.5° | 0.1° |
| C1 | C | H2 | H1 | 120.0° | 120.0° |
| C1 | C | H2 | H | 120.0° | 120.0° |
| C1 | C | H1 | H | 120.0° | 120.0° |
| C1 | C2 | C3 | H3 | 180.0° | 179.9° |
| C1 | C2 | C3 | H4 | 178.5° | 180.0° |
| C2 | C1 | C | H2 | 89.2° | 90.0° |
| C2 | C1 | C | H1 | 30.9° | 30.0° |
| C2 | C1 | C | H | 150.8° | 150.0° |
| H18 | C19 | C18 | H17 | 1.1° | 0.1° |
| H16 | C16 | C15 | H15 | 0.5° | 0.0° |
| H13 | C12 | H12 | H11 | 120.0° | 120.0° |
| H4 | C3 | C2 | H3 | 1.5° | 0.1° |
| H8 | C10 | C11 | H10 | 49.0° | 51.0° |
| H8 | C10 | C11 | H9 | 71.4° | 69.6° |
| H7 | C10 | C11 | H10 | 168.0° | 170.9° |
| H7 | C10 | C11 | H9 | 47.6° | 50.3° |
| H2 | C | H1 | H | 120.0° | 119.9° |
