LSN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | N1 | doub | 1.29Å | 1.31Å | Aromatic |
| N2 | N3 | sing | 1.29Å | 1.35Å | Aromatic |
| N1 | C1 | sing | 1.34Å | 1.45Å | Aromatic |
| N3 | N4 | sing | 1.29Å | 1.32Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.51Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.52Å | Aromatic |
| C1 | N4 | doub | 1.32Å | 1.45Å | Aromatic |
| C1 | C2 | sing | 1.48Å | 1.52Å | |
| C4 | C5 | doub | 1.38Å | 1.51Å | Aromatic |
| C2 | C7 | sing | 1.40Å | 1.51Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.50Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.49Å | Aromatic |
| C7 | C8 | sing | 1.48Å | 1.53Å | |
| O | C16 | sing | 1.43Å | 1.42Å | |
| C8 | C14 | doub | 1.39Å | 1.51Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.55Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | C13 | sing | 1.38Å | 1.48Å | Aromatic |
| CL | C17 | sing | 1.74Å | 1.76Å | |
| C9 | C10 | doub | 1.38Å | 1.54Å | Aromatic |
| C13 | C11 | doub | 1.38Å | 1.50Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.53Å | Aromatic |
| C15 | C17 | doub | 1.35Å | 1.57Å | Aromatic |
| C15 | N5 | sing | 1.37Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C17 | N6 | sing | 1.34Å | 1.45Å | Aromatic |
| N5 | C12 | sing | 1.47Å | 1.41Å | |
| N5 | C18 | sing | 1.35Å | 1.47Å | Aromatic |
| N6 | C18 | doub | 1.31Å | 1.43Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| O | H3 | sing | 0.97Å | 0.95Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.08Å | 1.08Å | |
| C9 | H18 | sing | 1.08Å | 1.08Å | |
| C13 | H19 | sing | 1.08Å | 1.08Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C6 | H21 | sing | 1.08Å | 1.08Å | |
| C5 | H22 | sing | 1.08Å | 1.08Å | |
| C4 | H23 | sing | 1.08Å | 1.08Å | |
| C3 | H24 | sing | 1.08Å | 1.08Å | |
| N3 | H4 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | N2 | N3 | 111.3° | 109.0° |
| N2 | N1 | C1 | 100.8° | 107.3° |
| N2 | N3 | N4 | 116.7° | 109.3° |
| N2 | N3 | H4 | 121.6° | 125.4° |
| N1 | C1 | N4 | 113.3° | 106.6° |
| N1 | C1 | C2 | 123.4° | 126.7° |
| N3 | N4 | C1 | 97.4° | 107.8° |
| N4 | N3 | H4 | 121.7° | 125.3° |
| C4 | C3 | C2 | 115.9° | 120.0° |
| C3 | C4 | C5 | 121.7° | 120.4° |
| C3 | C4 | H23 | 119.2° | 119.8° |
| C4 | C3 | H24 | 122.0° | 120.0° |
| C3 | C2 | C1 | 116.3° | 120.2° |
| C3 | C2 | C7 | 119.8° | 119.6° |
| C2 | C3 | H24 | 122.0° | 120.0° |
| N4 | C1 | C2 | 122.0° | 126.7° |
| C1 | C2 | C7 | 118.6° | 120.2° |
| C4 | C5 | C6 | 120.4° | 120.4° |
| C4 | C5 | H22 | 119.8° | 119.8° |
| C5 | C4 | H23 | 119.1° | 119.8° |
| C2 | C7 | C6 | 119.5° | 119.6° |
| C2 | C7 | C8 | 119.8° | 120.2° |
| C5 | C6 | C7 | 117.6° | 120.0° |
| C5 | C6 | H21 | 121.2° | 120.0° |
| C6 | C5 | H22 | 119.8° | 119.8° |
| C6 | C7 | C8 | 114.9° | 120.2° |
| C7 | C6 | H21 | 121.2° | 120.0° |
| C7 | C8 | C14 | 114.5° | 120.1° |
| C7 | C8 | C9 | 121.0° | 120.2° |
| O | C16 | C15 | 113.8° | 109.4° |
| O | C16 | H1 | 108.3° | 109.5° |
| O | C16 | H2 | 108.4° | 109.5° |
| C16 | O | H3 | 109.5° | 114.0° |
| C14 | C8 | C9 | 121.4° | 119.7° |
| C8 | C14 | C13 | 121.2° | 119.9° |
| C8 | C14 | H20 | 119.4° | 120.1° |
| C8 | C9 | C10 | 116.5° | 119.9° |
| C8 | C9 | H18 | 121.8° | 120.0° |
| C16 | C15 | C17 | 128.9° | 126.6° |
| C16 | C15 | N5 | 127.1° | 126.6° |
| C15 | C16 | H1 | 108.4° | 109.5° |
| C15 | C16 | H2 | 108.4° | 109.5° |
| C14 | C13 | C11 | 116.2° | 120.1° |
| C14 | C13 | H19 | 121.9° | 119.9° |
| C13 | C14 | H20 | 119.4° | 120.0° |
| CL | C17 | C15 | 126.0° | 126.1° |
| CL | C17 | N6 | 122.2° | 126.0° |
| C9 | C10 | C11 | 117.1° | 120.1° |
| C9 | C10 | H17 | 121.5° | 119.9° |
| C10 | C9 | H18 | 121.7° | 120.1° |
| C13 | C11 | C10 | 124.6° | 120.3° |
| C13 | C11 | C12 | 108.3° | 119.8° |
| C11 | C13 | H19 | 121.9° | 120.0° |
| C10 | C11 | C12 | 123.0° | 119.9° |
| C11 | C10 | H17 | 121.4° | 120.0° |
| C17 | C15 | N5 | 100.9° | 106.8° |
| C15 | C17 | N6 | 110.6° | 108.0° |
| C15 | N5 | C12 | 118.1° | 126.4° |
| C15 | N5 | C18 | 111.9° | 107.2° |
| C11 | C12 | N5 | 102.3° | 109.5° |
| C11 | C12 | H15 | 111.2° | 109.4° |
| C11 | C12 | H16 | 111.3° | 109.5° |
| C17 | N6 | C18 | 105.4° | 109.3° |
| C12 | N5 | C18 | 128.3° | 126.4° |
| N5 | C12 | H15 | 111.3° | 109.5° |
| N5 | C12 | H16 | 111.2° | 109.4° |
| N5 | C18 | N6 | 107.9° | 108.7° |
| N5 | C18 | C19 | 129.4° | 125.7° |
| N6 | C18 | C19 | 119.9° | 125.6° |
| C18 | C19 | C20 | 111.4° | 109.5° |
| C18 | C19 | H6 | 109.0° | 109.4° |
| C18 | C19 | H7 | 109.0° | 109.4° |
| C19 | C20 | C21 | 115.9° | 109.5° |
| C20 | C19 | H6 | 109.0° | 109.5° |
| C20 | C19 | H7 | 109.0° | 109.5° |
| C19 | C20 | H8 | 107.8° | 109.5° |
| C19 | C20 | H9 | 107.9° | 109.4° |
| C20 | C21 | C22 | 112.2° | 109.5° |
| C21 | C20 | H8 | 107.9° | 109.5° |
| C21 | C20 | H9 | 107.8° | 109.5° |
| C20 | C21 | H10 | 108.8° | 109.5° |
| C20 | C21 | H11 | 108.8° | 109.5° |
| C22 | C21 | H10 | 108.8° | 109.5° |
| C22 | C21 | H11 | 108.8° | 109.5° |
| C21 | C22 | H12 | 109.5° | 109.5° |
| C21 | C22 | H13 | 109.5° | 109.5° |
| C21 | C22 | H14 | 109.5° | 109.5° |
| H1 | C16 | H2 | 109.5° | 109.5° |
| H6 | C19 | H7 | 109.5° | 109.5° |
| H8 | C20 | H9 | 109.5° | 109.5° |
| H10 | C21 | H11 | 109.4° | 109.4° |
| H12 | C22 | H13 | 109.5° | 109.5° |
| H12 | C22 | H14 | 109.5° | 109.4° |
| H13 | C22 | H14 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | N2 | N3 | N4 | 0.1° | 0.5° |
| N2 | N1 | C1 | N4 | 6.7° | 0.0° |
| N2 | N1 | C1 | C2 | 173.7° | 179.7° |
| N1 | N2 | N3 | H4 | 179.9° | 180.0° |
| N3 | N2 | N1 | C1 | 4.0° | 0.3° |
| N2 | N3 | N4 | H4 | 180.0° | 179.5° |
| N2 | N3 | N4 | C1 | 3.9° | 0.4° |
| N1 | C1 | N4 | N3 | 6.4° | 0.2° |
| N1 | C1 | C2 | C3 | 108.3° | 179.7° |
| N1 | C1 | N4 | C2 | 167.2° | 179.8° |
| N1 | C1 | C2 | C7 | 45.8° | 0.2° |
| N3 | N4 | C1 | C2 | 173.6° | 180.0° |
| C4 | C3 | C2 | H24 | 180.0° | 179.8° |
| C4 | C3 | C2 | C1 | 173.7° | 180.0° |
| C3 | C4 | C5 | H23 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 20.0° | 0.5° |
| C3 | C4 | C5 | C6 | 2.5° | 0.0° |
| C3 | C4 | C5 | H22 | 177.5° | 180.0° |
| C3 | C2 | C1 | N4 | 85.8° | 0.0° |
| C3 | C2 | C1 | C7 | 154.1° | 179.5° |
| C2 | C3 | C4 | C5 | 7.8° | 0.2° |
| C3 | C2 | C7 | C6 | 27.5° | 0.4° |
| C3 | C2 | C7 | C8 | 179.2° | 179.7° |
| C2 | C3 | C4 | H23 | 172.2° | 179.7° |
| N4 | C1 | C2 | C7 | 120.1° | 179.5° |
| C1 | N4 | N3 | H4 | 176.1° | 179.9° |
| C1 | C2 | C7 | C6 | 179.3° | 180.0° |
| C1 | C2 | C7 | C8 | 27.6° | 0.2° |
| C1 | C2 | C3 | H24 | 6.3° | 0.2° |
| C4 | C5 | C6 | H22 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 9.0° | 0.1° |
| C4 | C5 | C6 | H21 | 171.0° | 180.0° |
| C5 | C4 | C3 | H24 | 172.2° | 180.0° |
| C2 | C7 | C6 | C5 | 21.2° | 0.2° |
| C2 | C7 | C6 | C8 | 153.1° | 179.8° |
| C2 | C7 | C8 | C14 | 168.0° | 129.8° |
| C2 | C7 | C8 | C9 | 31.3° | 50.5° |
| C2 | C7 | C6 | H21 | 158.8° | 179.8° |
| C7 | C2 | C3 | H24 | 160.0° | 179.7° |
| C5 | C6 | C7 | H21 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 174.3° | 180.0° |
| C6 | C5 | C4 | H23 | 177.5° | 180.0° |
| C6 | C7 | C8 | C14 | 39.0° | 50.0° |
| C6 | C7 | C8 | C9 | 121.7° | 129.7° |
| C7 | C6 | C5 | H22 | 171.0° | 180.0° |
| C7 | C8 | C14 | C9 | 160.5° | 179.7° |
| C7 | C8 | C14 | C13 | 173.7° | 180.0° |
| C7 | C8 | C9 | C10 | 172.7° | 180.0° |
| C7 | C8 | C9 | H18 | 7.3° | 0.1° |
| C7 | C8 | C14 | H20 | 6.3° | 0.0° |
| C8 | C7 | C6 | H21 | 5.7° | 0.0° |
| O | C16 | C15 | H1 | 120.6° | 120.0° |
| O | C16 | C15 | H2 | 120.7° | 120.0° |
| O | C16 | C15 | C17 | 91.6° | 90.0° |
| O | C16 | C15 | N5 | 64.5° | 90.1° |
| O | C16 | H1 | H2 | 118.0° | 120.1° |
| C8 | C14 | C13 | H20 | 180.0° | 179.9° |
| C14 | C8 | C9 | C10 | 13.4° | 0.3° |
| C8 | C14 | C13 | C11 | 1.2° | 0.1° |
| C14 | C8 | C9 | H18 | 166.5° | 179.7° |
| C8 | C14 | C13 | H19 | 178.8° | 179.9° |
| C9 | C8 | C14 | C13 | 13.2° | 0.3° |
| C8 | C9 | C10 | H18 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C8 | C9 | C10 | H17 | 179.9° | 179.9° |
| C9 | C8 | C14 | H20 | 166.8° | 179.7° |
| C16 | C15 | C17 | CL | 5.5° | 0.0° |
| C16 | C15 | C17 | N5 | 160.8° | 179.9° |
| C16 | C15 | C17 | N6 | 161.9° | 179.7° |
| C16 | C15 | N5 | C12 | 20.2° | 0.1° |
| C16 | C15 | N5 | C18 | 173.2° | 179.8° |
| C15 | C16 | H1 | H2 | 118.0° | 120.0° |
| C15 | C16 | O | H3 | 180.0° | 180.0° |
| C14 | C13 | C11 | H19 | 180.0° | 180.0° |
| C14 | C13 | C11 | C10 | 15.6° | 0.2° |
| C14 | C13 | C11 | C12 | 173.3° | 180.0° |
| CL | C17 | C15 | N6 | 167.4° | 179.7° |
| CL | C17 | C15 | N5 | 166.3° | 180.0° |
| CL | C17 | N6 | C18 | 177.9° | 180.0° |
| C9 | C10 | C11 | C13 | 14.9° | 0.3° |
| C9 | C10 | C11 | H17 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 169.5° | 179.9° |
| C13 | C11 | C10 | C12 | 154.6° | 179.8° |
| C13 | C11 | C12 | N5 | 156.8° | 90.2° |
| C13 | C11 | C12 | H15 | 84.4° | 149.8° |
| C13 | C11 | C12 | H16 | 37.9° | 29.7° |
| C13 | C11 | C10 | H17 | 165.1° | 179.8° |
| C11 | C13 | C14 | H20 | 178.8° | 180.0° |
| C10 | C11 | C12 | N5 | 45.1° | 90.0° |
| C10 | C11 | C12 | H15 | 73.8° | 30.0° |
| C10 | C11 | C12 | H16 | 163.9° | 150.0° |
| C11 | C10 | C9 | H18 | 179.9° | 179.9° |
| C10 | C11 | C13 | H19 | 164.4° | 179.7° |
| C17 | C15 | N5 | C12 | 178.5° | 180.0° |
| C17 | C15 | N5 | C18 | 12.0° | 0.2° |
| C15 | C17 | N6 | C18 | 10.0° | 0.3° |
| C17 | C15 | C16 | H1 | 147.7° | 30.0° |
| C17 | C15 | C16 | H2 | 29.0° | 149.9° |
| C15 | N5 | C12 | C11 | 93.5° | 90.1° |
| N5 | C15 | C17 | N6 | 1.1° | 0.3° |
| C15 | N5 | C12 | C18 | 164.1° | 179.8° |
| C15 | N5 | C18 | N6 | 19.2° | 0.0° |
| C15 | N5 | C18 | C19 | 179.7° | 179.9° |
| N5 | C15 | C16 | H1 | 56.2° | 150.0° |
| N5 | C15 | C16 | H2 | 174.9° | 30.0° |
| C15 | N5 | C12 | H15 | 147.6° | 150.0° |
| C15 | N5 | C12 | H16 | 25.4° | 29.9° |
| C11 | C12 | N5 | H15 | 118.9° | 120.0° |
| C11 | C12 | N5 | H16 | 118.9° | 120.0° |
| C11 | C12 | N5 | C18 | 102.4° | 89.7° |
| C11 | C12 | H15 | H16 | 123.3° | 120.0° |
| C12 | C11 | C10 | H17 | 10.5° | 0.0° |
| C12 | C11 | C13 | H19 | 6.7° | 0.0° |
| C17 | N6 | C18 | N5 | 17.1° | 0.2° |
| C17 | N6 | C18 | C19 | 179.7° | 180.0° |
| C12 | N5 | C18 | N6 | 175.9° | 179.8° |
| C12 | N5 | C18 | C19 | 15.4° | 0.0° |
| N5 | C12 | H15 | H16 | 123.3° | 120.0° |
| N5 | C18 | N6 | C19 | 162.7° | 179.8° |
| N5 | C18 | C19 | C20 | 155.3° | 90.2° |
| N5 | C18 | C19 | H6 | 84.5° | 29.8° |
| N5 | C18 | C19 | H7 | 35.0° | 149.8° |
| C18 | N5 | C12 | H15 | 16.4° | 30.2° |
| C18 | N5 | C12 | H16 | 138.7° | 150.3° |
| N6 | C18 | C19 | C20 | 46.2° | 90.0° |
| N6 | C18 | C19 | H6 | 74.0° | 150.0° |
| N6 | C18 | C19 | H7 | 166.5° | 30.0° |
| C18 | C19 | C20 | H6 | 120.3° | 120.0° |
| C18 | C19 | C20 | H7 | 120.3° | 120.0° |
| C18 | C19 | C20 | C21 | 38.6° | 180.0° |
| C18 | C19 | H6 | H7 | 119.1° | 120.0° |
| C18 | C19 | C20 | H8 | 82.4° | 60.0° |
| C18 | C19 | C20 | H9 | 159.5° | 60.0° |
| C19 | C20 | C21 | H8 | 120.9° | 120.0° |
| C19 | C20 | C21 | H9 | 120.9° | 119.9° |
| C19 | C20 | C21 | C22 | 148.4° | 180.0° |
| C20 | C19 | H6 | H7 | 119.2° | 120.0° |
| C19 | C20 | H8 | H9 | 117.1° | 120.0° |
| C19 | C20 | C21 | H10 | 27.9° | 60.0° |
| C19 | C20 | C21 | H11 | 91.2° | 60.0° |
| C20 | C21 | C22 | H10 | 120.4° | 120.0° |
| C20 | C21 | C22 | H11 | 120.4° | 120.0° |
| C21 | C20 | C19 | H6 | 158.8° | 60.0° |
| C21 | C20 | C19 | H7 | 81.7° | 60.0° |
| C21 | C20 | H8 | H9 | 117.1° | 120.0° |
| C20 | C21 | H10 | H11 | 118.7° | 120.0° |
| C20 | C21 | C22 | H12 | 180.0° | 180.0° |
| C20 | C21 | C22 | H13 | 60.0° | 60.0° |
| C20 | C21 | C22 | H14 | 60.0° | 60.0° |
| C22 | C21 | C20 | H8 | 90.7° | 60.0° |
| C22 | C21 | C20 | H9 | 27.4° | 60.1° |
| C22 | C21 | H10 | H11 | 118.7° | 120.0° |
| C21 | C22 | H12 | H13 | 120.0° | 120.0° |
| C21 | C22 | H12 | H14 | 120.0° | 120.0° |
| C21 | C22 | H13 | H14 | 120.0° | 120.0° |
| H1 | C16 | O | H3 | 59.4° | 60.1° |
| H2 | C16 | O | H3 | 59.3° | 60.0° |
| H6 | C19 | C20 | H8 | 37.9° | 180.0° |
| H6 | C19 | C20 | H9 | 80.3° | 60.0° |
| H7 | C19 | C20 | H8 | 157.3° | 60.0° |
| H7 | C19 | C20 | H9 | 39.2° | 180.0° |
| H8 | C20 | C21 | H10 | 148.9° | 180.0° |
| H8 | C20 | C21 | H11 | 29.7° | 60.0° |
| H9 | C20 | C21 | H10 | 93.0° | 59.9° |
| H9 | C20 | C21 | H11 | 147.8° | 179.9° |
| H10 | C21 | C22 | H12 | 59.6° | 59.9° |
| H10 | C21 | C22 | H13 | 179.6° | 180.0° |
| H10 | C21 | C22 | H14 | 60.4° | 60.0° |
| H11 | C21 | C22 | H12 | 59.6° | 60.0° |
| H11 | C21 | C22 | H13 | 60.4° | 60.0° |
| H11 | C21 | C22 | H14 | 179.6° | 180.0° |
| H12 | C22 | H13 | H14 | 120.0° | 120.0° |
| H17 | C10 | C9 | H18 | 0.1° | 0.0° |
| H19 | C13 | C14 | H20 | 1.2° | 0.0° |
| H21 | C6 | C5 | H22 | 9.0° | 0.0° |
| H22 | C5 | C4 | H23 | 2.5° | 0.0° |
| H23 | C4 | C3 | H24 | 7.8° | 0.1° |
