N5L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C3 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C4 | sing | 1.32Å | 1.33Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | N | sing | 1.40Å | 1.39Å | |
| C2 | C1 | doub | 1.39Å | 1.37Å | 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 | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| N | H13 | sing | 0.97Å | 1.00Å | |
| N | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N1 | C4 | 117.6° | 121.8° |
| N1 | C3 | C2 | 123.5° | 120.8° |
| N1 | C3 | H12 | 118.3° | 119.6° |
| N1 | C4 | C5 | 122.6° | 120.8° |
| N1 | C4 | H1 | 118.7° | 119.5° |
| C3 | C2 | N | 118.0° | 120.4° |
| C3 | C2 | C1 | 118.8° | 119.1° |
| C2 | C3 | H12 | 118.2° | 119.6° |
| C4 | C5 | C1 | 120.2° | 119.1° |
| C4 | C5 | N2 | 118.9° | 120.4° |
| C5 | C4 | H1 | 118.7° | 119.6° |
| N | C2 | C1 | 123.2° | 120.5° |
| C2 | N | H13 | 109.5° | 120.0° |
| C2 | N | H14 | 109.4° | 120.0° |
| C2 | C1 | C5 | 117.3° | 118.3° |
| C2 | C1 | C | 121.3° | 120.9° |
| C1 | C5 | N2 | 120.8° | 120.5° |
| C5 | C1 | C | 121.3° | 120.8° |
| C5 | N2 | C6 | 122.8° | 120.0° |
| C5 | N2 | H8 | 118.6° | 119.9° |
| C1 | C | H9 | 109.5° | 109.5° |
| C1 | C | H10 | 109.5° | 109.5° |
| C1 | C | H11 | 109.5° | 109.5° |
| N2 | C6 | O | 123.3° | 120.0° |
| N2 | C6 | C7 | 114.6° | 120.0° |
| C6 | N2 | H8 | 118.6° | 120.1° |
| CL | C12 | C13 | 118.8° | 120.0° |
| CL | C12 | C11 | 119.3° | 120.0° |
| O | C6 | C7 | 122.0° | 120.0° |
| C6 | C7 | C8 | 111.1° | 109.5° |
| C6 | C7 | H2 | 109.1° | 109.5° |
| C6 | C7 | H3 | 109.1° | 109.5° |
| C12 | C13 | C8 | 119.8° | 120.0° |
| C13 | C12 | C11 | 121.9° | 120.0° |
| C12 | C13 | H5 | 120.1° | 120.0° |
| C13 | C8 | C7 | 119.8° | 120.0° |
| C13 | C8 | C9 | 118.8° | 120.0° |
| C8 | C13 | H5 | 120.1° | 120.0° |
| C12 | C11 | C10 | 118.5° | 120.0° |
| C12 | C11 | H6 | 120.7° | 120.0° |
| C7 | C8 | C9 | 121.3° | 120.0° |
| C8 | C7 | H2 | 109.0° | 109.5° |
| C8 | C7 | H3 | 109.1° | 109.4° |
| C8 | C9 | C10 | 120.8° | 120.0° |
| C8 | C9 | H7 | 119.6° | 120.0° |
| C11 | C10 | C9 | 120.2° | 120.0° |
| C11 | C10 | H4 | 119.9° | 120.0° |
| C10 | C11 | H6 | 120.7° | 120.0° |
| C9 | C10 | H4 | 119.9° | 120.0° |
| C10 | C9 | H7 | 119.6° | 120.0° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H9 | C | H10 | 109.4° | 109.4° |
| H9 | C | H11 | 109.5° | 109.5° |
| H10 | C | H11 | 109.4° | 109.5° |
| H13 | N | H14 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C3 | C2 | H12 | 180.0° | 180.0° |
| C3 | N1 | C4 | C5 | 0.1° | 0.1° |
| N1 | C3 | C2 | N | 180.0° | 179.9° |
| N1 | C3 | C2 | C1 | 0.4° | 0.0° |
| C3 | N1 | C4 | H1 | 179.9° | 180.0° |
| C4 | N1 | C3 | C2 | 0.1° | 0.1° |
| N1 | C4 | C5 | H1 | 180.0° | 179.9° |
| N1 | C4 | C5 | C1 | 0.5° | 0.1° |
| N1 | C4 | C5 | N2 | 179.0° | 180.0° |
| C4 | N1 | C3 | H12 | 180.0° | 180.0° |
| C3 | C2 | N | C1 | 179.6° | 179.9° |
| C3 | C2 | C1 | C5 | 0.8° | 0.1° |
| C3 | C2 | C1 | C | 177.4° | 180.0° |
| C3 | C2 | N | H13 | 180.0° | 0.0° |
| C3 | C2 | N | H14 | 60.0° | 180.0° |
| C4 | C5 | C1 | C2 | 0.8° | 0.0° |
| C4 | C5 | C1 | N2 | 178.4° | 180.0° |
| C4 | C5 | C1 | C | 177.3° | 179.9° |
| C4 | C5 | N2 | C6 | 86.3° | 34.7° |
| C4 | C5 | N2 | H8 | 93.7° | 145.4° |
| N | C2 | C1 | C5 | 179.7° | 180.0° |
| N | C2 | C1 | C | 2.2° | 0.1° |
| N | C2 | C3 | H12 | 0.0° | 0.0° |
| C2 | N | H13 | H14 | 120.0° | 180.0° |
| C2 | C1 | C5 | C | 178.1° | 179.9° |
| C2 | C1 | C5 | N2 | 179.3° | 179.9° |
| C2 | C1 | C | H9 | 91.0° | 89.9° |
| C2 | C1 | C | H10 | 149.0° | 30.0° |
| C2 | C1 | C | H11 | 29.1° | 150.1° |
| C1 | C2 | C3 | H12 | 179.6° | 180.0° |
| C1 | C2 | N | H13 | 0.4° | 179.9° |
| C1 | C2 | N | H14 | 119.6° | 0.1° |
| C1 | C5 | N2 | C6 | 92.2° | 145.4° |
| C1 | C5 | C4 | H1 | 179.5° | 179.9° |
| C1 | C5 | N2 | H8 | 87.8° | 34.6° |
| C5 | C1 | C | H9 | 90.9° | 90.0° |
| C5 | C1 | C | H10 | 29.0° | 150.0° |
| C5 | C1 | C | H11 | 149.0° | 30.0° |
| N2 | C5 | C1 | C | 1.1° | 0.0° |
| C5 | N2 | C6 | H8 | 180.0° | 180.0° |
| C5 | N2 | C6 | O | 2.7° | 4.5° |
| C5 | N2 | C6 | C7 | 173.1° | 175.6° |
| N2 | C5 | C4 | H1 | 1.0° | 0.1° |
| C1 | C | H9 | H10 | 120.0° | 120.0° |
| C1 | C | H9 | H11 | 120.0° | 120.1° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| N2 | C6 | O | C7 | 175.5° | 179.9° |
| N2 | C6 | C7 | C8 | 155.8° | 180.0° |
| N2 | C6 | C7 | H2 | 84.0° | 59.9° |
| N2 | C6 | C7 | H3 | 35.5° | 60.1° |
| CL | C12 | C13 | C11 | 179.1° | 179.9° |
| CL | C12 | C13 | C8 | 178.7° | 180.0° |
| CL | C12 | C11 | C10 | 179.1° | 180.0° |
| CL | C12 | C13 | H5 | 1.3° | 0.0° |
| CL | C12 | C11 | H6 | 0.9° | 0.1° |
| O | C6 | C7 | C8 | 28.4° | 0.0° |
| O | C6 | C7 | H2 | 91.8° | 120.0° |
| O | C6 | C7 | H3 | 148.7° | 120.0° |
| O | C6 | N2 | H8 | 177.3° | 175.5° |
| C6 | C7 | C8 | C13 | 78.5° | 89.7° |
| C6 | C7 | C8 | H2 | 120.2° | 120.1° |
| C6 | C7 | C8 | H3 | 120.3° | 120.0° |
| C6 | C7 | C8 | C9 | 98.6° | 90.0° |
| C6 | C7 | H2 | H3 | 119.3° | 120.0° |
| C7 | C6 | N2 | H8 | 6.9° | 4.4° |
| C12 | C13 | C8 | H5 | 180.0° | 180.0° |
| C12 | C13 | C8 | C7 | 174.5° | 180.0° |
| C12 | C13 | C8 | C9 | 2.6° | 0.3° |
| C13 | C12 | C11 | C10 | 1.8° | 0.0° |
| C13 | C12 | C11 | H6 | 178.2° | 180.0° |
| C8 | C13 | C12 | C11 | 0.4° | 0.0° |
| C13 | C8 | C7 | C9 | 177.0° | 179.7° |
| C13 | C8 | C9 | C10 | 2.6° | 0.6° |
| C13 | C8 | C7 | H2 | 161.3° | 150.2° |
| C13 | C8 | C7 | H3 | 41.8° | 30.3° |
| C13 | C8 | C9 | H7 | 177.4° | 179.8° |
| C12 | C11 | C10 | H6 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 1.8° | 0.3° |
| C12 | C11 | C10 | H4 | 178.2° | 180.0° |
| C11 | C12 | C13 | H5 | 179.6° | 180.0° |
| C7 | C8 | C9 | C10 | 174.5° | 179.7° |
| C8 | C7 | H2 | H3 | 119.3° | 119.9° |
| C7 | C8 | C13 | H5 | 5.5° | 0.0° |
| C7 | C8 | C9 | H7 | 5.5° | 0.1° |
| C8 | C9 | C10 | C11 | 0.4° | 0.6° |
| C8 | C9 | C10 | H7 | 180.0° | 179.6° |
| C9 | C8 | C7 | H2 | 21.7° | 30.1° |
| C9 | C8 | C7 | H3 | 141.2° | 150.0° |
| C8 | C9 | C10 | H4 | 179.6° | 179.7° |
| C9 | C8 | C13 | H5 | 177.4° | 179.7° |
| C11 | C10 | C9 | H4 | 180.0° | 179.7° |
| C11 | C10 | C9 | H7 | 179.6° | 179.8° |
| C9 | C10 | C11 | H6 | 178.2° | 179.7° |
| H4 | C10 | C11 | H6 | 1.9° | 0.0° |
| H4 | C10 | C9 | H7 | 0.3° | 0.1° |
| H9 | C | H10 | H11 | 120.0° | 120.0° |
