L2I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C8 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C9 | sing | 1.32Å | 1.34Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | N1 | sing | 1.40Å | 1.41Å | |
| O | C4 | doub | 1.21Å | 1.23Å | |
| N1 | C4 | sing | 1.35Å | 1.35Å | |
| C4 | C3 | sing | 1.51Å | 1.53Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C3 | sing | 1.51Å | 1.52Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | N | sing | 1.47Å | 1.46Å | |
| N | C | sing | 1.47Å | 1.46Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| N | H15 | sing | 1.01Å | 1.00Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | N2 | C9 | 117.5° | 121.7° |
| N2 | C8 | C7 | 123.5° | 121.0° |
| N2 | C8 | H4 | 118.3° | 119.5° |
| N2 | C9 | C5 | 123.5° | 120.7° |
| N2 | C9 | H20 | 118.3° | 119.6° |
| C8 | C7 | C6 | 118.5° | 119.2° |
| C8 | C7 | H3 | 120.7° | 120.4° |
| C7 | C8 | H4 | 118.3° | 119.5° |
| C9 | C5 | C6 | 117.5° | 119.0° |
| C9 | C5 | N1 | 126.6° | 120.5° |
| C5 | C9 | H20 | 118.2° | 119.7° |
| C7 | C6 | C5 | 119.5° | 118.4° |
| C7 | C6 | H2 | 120.2° | 120.8° |
| C6 | C7 | H3 | 120.8° | 120.4° |
| C6 | C5 | N1 | 115.0° | 120.6° |
| C5 | C6 | H2 | 120.2° | 120.8° |
| C5 | N1 | C4 | 128.5° | 120.0° |
| C5 | N1 | H1 | 115.7° | 120.1° |
| O | C4 | N1 | 122.9° | 120.0° |
| O | C4 | C3 | 121.9° | 120.0° |
| N1 | C4 | C3 | 114.8° | 120.0° |
| C4 | N1 | H1 | 115.8° | 120.0° |
| C4 | C3 | C10 | 110.3° | 109.5° |
| C4 | C3 | C2 | 109.6° | 109.4° |
| C4 | C3 | H7 | 108.3° | 109.4° |
| C15 | C14 | C13 | 120.1° | 120.0° |
| C14 | C15 | C10 | 120.8° | 120.0° |
| C14 | C15 | H6 | 119.6° | 120.0° |
| C15 | C14 | H8 | 119.9° | 120.0° |
| C14 | C13 | C12 | 119.7° | 120.0° |
| C14 | C13 | H5 | 120.1° | 120.0° |
| C13 | C14 | H8 | 119.9° | 120.0° |
| C15 | C10 | C3 | 120.9° | 120.0° |
| C15 | C10 | C11 | 118.5° | 120.0° |
| C10 | C15 | H6 | 119.6° | 120.0° |
| C13 | C12 | C11 | 120.2° | 120.0° |
| C12 | C13 | H5 | 120.2° | 120.0° |
| C13 | C12 | H9 | 119.9° | 120.0° |
| C3 | C10 | C11 | 120.5° | 120.0° |
| C10 | C3 | C2 | 112.1° | 109.5° |
| C10 | C3 | H7 | 108.3° | 109.5° |
| C10 | C11 | C12 | 120.7° | 120.0° |
| C10 | C11 | H10 | 119.6° | 120.0° |
| C3 | C2 | C1 | 114.4° | 109.4° |
| C2 | C3 | H7 | 108.2° | 109.5° |
| C3 | C2 | H11 | 108.2° | 109.5° |
| C3 | C2 | H12 | 108.2° | 109.5° |
| C2 | C1 | N | 110.5° | 109.5° |
| C1 | C2 | H11 | 108.2° | 109.5° |
| C1 | C2 | H12 | 108.2° | 109.5° |
| C2 | C1 | H13 | 109.2° | 109.5° |
| C2 | C1 | H14 | 109.2° | 109.4° |
| C11 | C12 | H9 | 119.9° | 120.0° |
| C12 | C11 | H10 | 119.6° | 120.0° |
| C1 | N | C | 110.9° | 111.0° |
| N | C1 | H13 | 109.2° | 109.5° |
| N | C1 | H14 | 109.2° | 109.5° |
| C1 | N | H15 | 109.1° | 110.9° |
| C | N | H15 | 109.1° | 111.0° |
| N | C | H17 | 109.5° | 109.5° |
| N | C | H18 | 109.5° | 109.5° |
| N | C | H19 | 109.4° | 109.4° |
| H11 | C2 | H12 | 109.5° | 109.4° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H17 | C | H18 | 109.5° | 109.5° |
| H17 | C | H19 | 109.5° | 109.5° |
| H18 | C | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C8 | C7 | H4 | 180.0° | 179.9° |
| C8 | N2 | C9 | C5 | 0.9° | 0.6° |
| N2 | C8 | C7 | C6 | 0.2° | 0.0° |
| N2 | C8 | C7 | H3 | 179.8° | 179.9° |
| C8 | N2 | C9 | H20 | 179.1° | 180.0° |
| C9 | N2 | C8 | C7 | 0.7° | 0.4° |
| N2 | C9 | C5 | H20 | 180.0° | 179.4° |
| N2 | C9 | C5 | C6 | 0.2° | 0.5° |
| N2 | C9 | C5 | N1 | 169.0° | 179.7° |
| C9 | N2 | C8 | H4 | 179.3° | 179.7° |
| C8 | C7 | C6 | H3 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 1.0° | 0.0° |
| C8 | C7 | C6 | H2 | 179.0° | 180.0° |
| C9 | C5 | C6 | C7 | 0.8° | 0.2° |
| C9 | C5 | C6 | N1 | 170.1° | 179.8° |
| C9 | C5 | N1 | C4 | 22.8° | 145.3° |
| C9 | C5 | N1 | H1 | 157.2° | 35.0° |
| C9 | C5 | C6 | H2 | 179.2° | 179.8° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C7 | C6 | C5 | N1 | 169.3° | 180.0° |
| C6 | C7 | C8 | H4 | 179.8° | 180.0° |
| C6 | C5 | N1 | C4 | 146.3° | 34.9° |
| C6 | C5 | N1 | H1 | 33.7° | 144.7° |
| C5 | C6 | C7 | H3 | 179.0° | 180.0° |
| C6 | C5 | C9 | H20 | 179.8° | 180.0° |
| C5 | N1 | C4 | O | 21.3° | 4.3° |
| C5 | N1 | C4 | H1 | 180.0° | 179.6° |
| C5 | N1 | C4 | C3 | 166.0° | 175.6° |
| N1 | C5 | C6 | H2 | 10.7° | 0.0° |
| N1 | C5 | C9 | H20 | 11.0° | 0.3° |
| O | C4 | N1 | C3 | 172.8° | 179.9° |
| O | C4 | C3 | C10 | 109.0° | 120.0° |
| O | C4 | C3 | C2 | 14.9° | 0.0° |
| O | C4 | N1 | H1 | 158.7° | 175.3° |
| O | C4 | C3 | H7 | 132.7° | 120.0° |
| N1 | C4 | C3 | C10 | 78.2° | 60.0° |
| N1 | C4 | C3 | C2 | 157.9° | 180.0° |
| N1 | C4 | C3 | H7 | 40.2° | 60.1° |
| C4 | C3 | C10 | C15 | 53.0° | 60.3° |
| C4 | C3 | C10 | C2 | 122.4° | 120.0° |
| C4 | C3 | C10 | H7 | 118.3° | 120.0° |
| C4 | C3 | C10 | C11 | 123.7° | 120.0° |
| C4 | C3 | C2 | H7 | 117.8° | 119.9° |
| C4 | C3 | C2 | C1 | 168.6° | 175.0° |
| C3 | C4 | N1 | H1 | 14.0° | 4.8° |
| C4 | C3 | C2 | H11 | 47.9° | 55.0° |
| C4 | C3 | C2 | H12 | 70.6° | 65.0° |
| C15 | C14 | C13 | H8 | 180.0° | 179.9° |
| C14 | C15 | C10 | H6 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 1.2° | 0.3° |
| C14 | C15 | C10 | C3 | 175.2° | 179.9° |
| C14 | C15 | C10 | C11 | 1.6° | 0.3° |
| C15 | C14 | C13 | H5 | 178.7° | 179.9° |
| C13 | C14 | C15 | C10 | 0.3° | 0.1° |
| C14 | C13 | C12 | H5 | 180.0° | 179.7° |
| C14 | C13 | C12 | C11 | 1.4° | 0.3° |
| C13 | C14 | C15 | H6 | 179.7° | 180.0° |
| C14 | C13 | C12 | H9 | 178.6° | 179.8° |
| C15 | C10 | C3 | C11 | 176.7° | 179.7° |
| C15 | C10 | C3 | C2 | 69.4° | 59.7° |
| C15 | C10 | C11 | C12 | 1.5° | 0.3° |
| C15 | C10 | C3 | H7 | 171.4° | 179.7° |
| C10 | C15 | C14 | H8 | 179.7° | 180.0° |
| C15 | C10 | C11 | H10 | 178.5° | 179.7° |
| C13 | C12 | C11 | C10 | 0.0° | 0.1° |
| C13 | C12 | C11 | H9 | 180.0° | 180.0° |
| C12 | C13 | C14 | H8 | 178.7° | 179.7° |
| C13 | C12 | C11 | H10 | 180.0° | 180.0° |
| C10 | C3 | C2 | H7 | 119.4° | 120.1° |
| C10 | C3 | C2 | C1 | 68.6° | 65.0° |
| C3 | C10 | C11 | C12 | 175.3° | 180.0° |
| C3 | C10 | C15 | H6 | 4.8° | 0.0° |
| C3 | C10 | C11 | H10 | 4.7° | 0.1° |
| C10 | C3 | C2 | H11 | 170.7° | 175.0° |
| C10 | C3 | C2 | H12 | 52.1° | 55.0° |
| C11 | C10 | C3 | C2 | 113.9° | 120.0° |
| C10 | C11 | C12 | H10 | 180.0° | 179.9° |
| C11 | C10 | C15 | H6 | 178.4° | 179.7° |
| C11 | C10 | C3 | H7 | 5.4° | 0.0° |
| C10 | C11 | C12 | H9 | 180.0° | 179.9° |
| C3 | C2 | C1 | H11 | 120.7° | 120.0° |
| C3 | C2 | C1 | H12 | 120.8° | 120.0° |
| C3 | C2 | C1 | N | 175.6° | 180.0° |
| C3 | C2 | H11 | H12 | 117.8° | 120.0° |
| C3 | C2 | C1 | H13 | 64.2° | 60.0° |
| C3 | C2 | C1 | H14 | 55.4° | 60.0° |
| C2 | C1 | N | H13 | 120.2° | 120.0° |
| C2 | C1 | N | H14 | 120.2° | 119.9° |
| C2 | C1 | N | C | 151.7° | 180.0° |
| C1 | C2 | C3 | H7 | 50.8° | 55.1° |
| C1 | C2 | H11 | H12 | 117.7° | 120.0° |
| C2 | C1 | H13 | H14 | 119.5° | 120.0° |
| C2 | C1 | N | H15 | 88.1° | 56.0° |
| C11 | C12 | C13 | H5 | 178.6° | 180.0° |
| C1 | N | C | H15 | 120.2° | 123.9° |
| N | C1 | C2 | H11 | 54.9° | 60.0° |
| N | C1 | C2 | H12 | 63.6° | 60.0° |
| N | C1 | H13 | H14 | 119.5° | 120.0° |
| C1 | N | C | H17 | 180.0° | 60.0° |
| C1 | N | C | H18 | 60.0° | 60.0° |
| C1 | N | C | H19 | 60.0° | 180.0° |
| C | N | C1 | H13 | 31.5° | 60.0° |
| C | N | C1 | H14 | 88.2° | 60.0° |
| N | C | H17 | H18 | 120.0° | 120.0° |
| N | C | H17 | H19 | 120.0° | 120.0° |
| N | C | H18 | H19 | 120.0° | 120.0° |
| H2 | C6 | C7 | H3 | 1.0° | 0.0° |
| H3 | C7 | C8 | H4 | 0.2° | 0.0° |
| H5 | C13 | C14 | H8 | 1.3° | 0.0° |
| H5 | C13 | C12 | H9 | 1.4° | 0.0° |
| H6 | C15 | C14 | H8 | 0.3° | 0.1° |
| H7 | C3 | C2 | H11 | 69.9° | 64.9° |
| H7 | C3 | C2 | H12 | 171.5° | 175.1° |
| H9 | C12 | C11 | H10 | 0.0° | 0.0° |
| H11 | C2 | C1 | H13 | 175.1° | 180.0° |
| H11 | C2 | C1 | H14 | 65.3° | 60.0° |
| H12 | C2 | C1 | H13 | 56.5° | 60.0° |
| H12 | C2 | C1 | H14 | 176.2° | 180.0° |
| H13 | C1 | N | H15 | 151.7° | 176.0° |
| H14 | C1 | N | H15 | 32.0° | 63.9° |
| H15 | N | C | H17 | 59.8° | 176.1° |
| H15 | N | C | H18 | 179.8° | 63.9° |
| H15 | N | C | H19 | 60.2° | 56.1° |
| H17 | C | H18 | H19 | 120.0° | 120.0° |
