L83
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C3 | doub | 1.32Å | 1.34Å | Aromatic |
| N | C4 | sing | 1.32Å | 1.36Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.37Å | Aromatic |
| N1 | C4 | sing | 1.39Å | 1.34Å | |
| C4 | C5 | doub | 1.40Å | 1.42Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | N2 | sing | 1.40Å | 1.42Å | |
| C1 | C | sing | 1.51Å | 1.51Å | |
| N2 | C6 | sing | 1.35Å | 1.35Å | |
| CL | C12 | sing | 1.74Å | 1.74Å | |
| O | C6 | doub | 1.21Å | 1.23Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N | C4 | 119.1° | 121.7° |
| N | C3 | C2 | 123.3° | 121.0° |
| N | C3 | H14 | 118.3° | 119.5° |
| N | C4 | N1 | 117.9° | 119.7° |
| N | C4 | C5 | 120.5° | 120.6° |
| C3 | C2 | C1 | 119.5° | 119.4° |
| C3 | C2 | H9 | 120.3° | 120.3° |
| C2 | C3 | H14 | 118.3° | 119.5° |
| N1 | C4 | C5 | 121.7° | 119.7° |
| C4 | N1 | H1 | 109.5° | 120.0° |
| C4 | N1 | H2 | 109.4° | 120.0° |
| C4 | C5 | C1 | 119.6° | 119.0° |
| C4 | C5 | N2 | 120.5° | 120.5° |
| C2 | C1 | C5 | 118.0° | 118.4° |
| C2 | C1 | C | 120.4° | 120.7° |
| C1 | C2 | H9 | 120.2° | 120.3° |
| C1 | C5 | N2 | 119.9° | 120.5° |
| C5 | C1 | C | 121.6° | 120.8° |
| C5 | N2 | C6 | 123.3° | 120.0° |
| C5 | N2 | H7 | 118.4° | 119.9° |
| C1 | C | H11 | 109.5° | 109.5° |
| C1 | C | H12 | 109.5° | 109.5° |
| C1 | C | H13 | 109.5° | 109.4° |
| N2 | C6 | O | 123.5° | 120.0° |
| N2 | C6 | C7 | 114.3° | 120.0° |
| C6 | N2 | H7 | 118.3° | 120.1° |
| CL | C12 | C13 | 118.7° | 120.0° |
| CL | C12 | C11 | 119.4° | 120.0° |
| O | C6 | C7 | 122.2° | 120.0° |
| C6 | C7 | C8 | 112.1° | 109.5° |
| C6 | C7 | H3 | 108.8° | 109.4° |
| C6 | C7 | H4 | 108.8° | 109.4° |
| C12 | C13 | C8 | 119.8° | 120.0° |
| C13 | C12 | C11 | 121.7° | 120.0° |
| C12 | C13 | H6 | 120.1° | 120.0° |
| C13 | C8 | C7 | 120.0° | 120.0° |
| C13 | C8 | C9 | 118.8° | 120.0° |
| C8 | C13 | H6 | 120.1° | 120.0° |
| C12 | C11 | C10 | 118.6° | 120.0° |
| C12 | C11 | H8 | 120.7° | 120.0° |
| C7 | C8 | C9 | 121.1° | 120.0° |
| C8 | C7 | H3 | 108.8° | 109.5° |
| C8 | C7 | H4 | 108.8° | 109.5° |
| C8 | C9 | C10 | 120.7° | 120.1° |
| C8 | C9 | H10 | 119.6° | 120.0° |
| C11 | C10 | C9 | 120.3° | 120.0° |
| C11 | C10 | H5 | 119.9° | 120.0° |
| C10 | C11 | H8 | 120.7° | 120.0° |
| C9 | C10 | H5 | 119.9° | 120.0° |
| C10 | C9 | H10 | 119.6° | 120.0° |
| H1 | N1 | H2 | 109.5° | 120.0° |
| H3 | C7 | H4 | 109.4° | 109.4° |
| H11 | C | H12 | 109.5° | 109.5° |
| H11 | C | H13 | 109.5° | 109.4° |
| H12 | C | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C3 | C2 | H14 | 180.0° | 180.0° |
| C3 | N | C4 | N1 | 179.4° | 180.0° |
| C3 | N | C4 | C5 | 1.2° | 0.2° |
| N | C3 | C2 | C1 | 0.3° | 0.3° |
| N | C3 | C2 | H9 | 179.7° | 180.0° |
| C4 | N | C3 | C2 | 1.3° | 0.0° |
| N | C4 | N1 | C5 | 179.4° | 179.8° |
| N | C4 | C5 | C1 | 0.1° | 0.2° |
| N | C4 | C5 | N2 | 178.9° | 179.7° |
| N | C4 | N1 | H1 | 0.0° | 174.4° |
| N | C4 | N1 | H2 | 120.0° | 5.8° |
| C4 | N | C3 | H14 | 178.7° | 180.0° |
| C3 | C2 | C1 | H9 | 180.0° | 179.7° |
| C3 | C2 | C1 | C5 | 0.7° | 0.3° |
| C3 | C2 | C1 | C | 179.2° | 179.8° |
| N1 | C4 | C5 | C1 | 179.6° | 180.0° |
| N1 | C4 | C5 | N2 | 0.5° | 0.0° |
| C4 | N1 | H1 | H2 | 120.0° | 179.8° |
| C4 | C5 | C1 | C2 | 0.8° | 0.0° |
| C4 | C5 | C1 | N2 | 179.1° | 179.9° |
| C4 | C5 | C1 | C | 179.1° | 180.0° |
| C4 | C5 | N2 | C6 | 78.8° | 113.5° |
| C5 | C4 | N1 | H1 | 179.4° | 5.3° |
| C5 | C4 | N1 | H2 | 59.4° | 174.4° |
| C4 | C5 | N2 | H7 | 101.1° | 66.6° |
| C2 | C1 | C5 | C | 179.9° | 179.9° |
| C2 | C1 | C5 | N2 | 179.9° | 180.0° |
| C2 | C1 | C | H11 | 90.0° | 83.3° |
| C2 | C1 | C | H12 | 149.9° | 36.8° |
| C2 | C1 | C | H13 | 29.9° | 156.8° |
| C1 | C2 | C3 | H14 | 179.7° | 179.7° |
| C1 | C5 | N2 | C6 | 100.2° | 66.5° |
| C1 | C5 | N2 | H7 | 79.8° | 113.5° |
| C5 | C1 | C2 | H9 | 179.3° | 180.0° |
| C5 | C1 | C | H11 | 90.1° | 96.7° |
| C5 | C1 | C | H12 | 29.9° | 143.2° |
| C5 | C1 | C | H13 | 149.9° | 23.2° |
| N2 | C5 | C1 | C | 0.0° | 0.1° |
| C5 | N2 | C6 | H7 | 180.0° | 179.9° |
| C5 | N2 | C6 | O | 3.3° | 5.0° |
| C5 | N2 | C6 | C7 | 175.2° | 174.9° |
| C | C1 | C2 | H9 | 0.8° | 0.1° |
| C1 | C | H11 | H12 | 120.0° | 120.1° |
| C1 | C | H11 | H13 | 120.0° | 119.9° |
| C1 | C | H12 | H13 | 120.0° | 120.0° |
| N2 | C6 | O | C7 | 178.4° | 179.9° |
| N2 | C6 | C7 | C8 | 156.0° | 180.0° |
| N2 | C6 | C7 | H3 | 83.6° | 60.0° |
| N2 | C6 | C7 | H4 | 35.6° | 59.9° |
| CL | C12 | C13 | C11 | 175.7° | 180.0° |
| CL | C12 | C13 | C8 | 173.7° | 180.0° |
| CL | C12 | C11 | C10 | 172.4° | 179.7° |
| CL | C12 | C13 | H6 | 6.2° | 0.0° |
| CL | C12 | C11 | H8 | 7.6° | 0.3° |
| O | C6 | C7 | C8 | 25.5° | 0.1° |
| O | C6 | C7 | H3 | 94.9° | 120.1° |
| O | C6 | C7 | H4 | 146.0° | 120.0° |
| O | C6 | N2 | H7 | 176.7° | 174.9° |
| C6 | C7 | C8 | C13 | 70.0° | 89.7° |
| C6 | C7 | C8 | H3 | 120.4° | 120.0° |
| C6 | C7 | C8 | H4 | 120.4° | 120.0° |
| C6 | C7 | C8 | C9 | 107.2° | 90.0° |
| C6 | C7 | H3 | H4 | 118.8° | 119.9° |
| C7 | C6 | N2 | H7 | 4.8° | 5.2° |
| C12 | C13 | C8 | H6 | 180.0° | 180.0° |
| C12 | C13 | C8 | C7 | 176.5° | 180.0° |
| C12 | C13 | C8 | C9 | 0.8° | 0.3° |
| C13 | C12 | C11 | C10 | 3.3° | 0.3° |
| C13 | C12 | C11 | H8 | 176.7° | 179.8° |
| C8 | C13 | C12 | C11 | 2.0° | 0.1° |
| C13 | C8 | C7 | C9 | 177.2° | 179.7° |
| C13 | C8 | C9 | C10 | 2.3° | 0.2° |
| C13 | C8 | C7 | H3 | 169.6° | 150.3° |
| C13 | C8 | C7 | H4 | 50.4° | 30.3° |
| C13 | C8 | C9 | H10 | 177.7° | 179.7° |
| C12 | C11 | C10 | H8 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 1.8° | 0.4° |
| C12 | C11 | C10 | H5 | 178.2° | 179.9° |
| C11 | C12 | C13 | H6 | 178.1° | 180.0° |
| C7 | C8 | C9 | C10 | 175.0° | 179.9° |
| C8 | C7 | H3 | H4 | 118.8° | 120.1° |
| C7 | C8 | C13 | H6 | 3.6° | 0.0° |
| C7 | C8 | C9 | H10 | 5.0° | 0.0° |
| C8 | C9 | C10 | C11 | 1.0° | 0.1° |
| C8 | C9 | C10 | H10 | 180.0° | 179.9° |
| C9 | C8 | C7 | H3 | 13.2° | 30.0° |
| C9 | C8 | C7 | H4 | 132.4° | 150.0° |
| C8 | C9 | C10 | H5 | 179.0° | 179.7° |
| C9 | C8 | C13 | H6 | 179.1° | 179.7° |
| C11 | C10 | C9 | H5 | 180.0° | 179.6° |
| C11 | C10 | C9 | H10 | 179.0° | 180.0° |
| C9 | C10 | C11 | H8 | 178.2° | 179.7° |
| H5 | C10 | C11 | H8 | 1.7° | 0.1° |
| H5 | C10 | C9 | H10 | 1.0° | 0.4° |
| H9 | C2 | C3 | H14 | 0.3° | 0.0° |
| H11 | C | H12 | H13 | 120.0° | 120.0° |
