2NL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C11 | sing | 1.74Å | 1.74Å | |
| C12 | C11 | doub | 1.39Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| N2 | C9 | sing | 1.32Å | 1.35Å | Aromatic |
| C9 | N1 | sing | 1.39Å | 1.39Å | |
| N1 | C7 | sing | 1.40Å | 1.42Å | |
| C7 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | O1 | sing | 1.36Å | 1.37Å | |
| O1 | C2 | sing | 1.43Å | 1.41Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C1 | N | sing | 1.35Å | 1.33Å | |
| C1 | O | doub | 1.21Å | 1.24Å | |
| N | C | sing | 1.47Å | 1.45Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C5 | H9 | sing | 1.08Å | 1.08Å | |
| C4 | H10 | sing | 1.08Å | 1.08Å | |
| N | H11 | sing | 0.97Å | 1.00Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C11 | C12 | 119.3° | 120.8° |
| CL | C11 | C10 | 119.2° | 120.8° |
| C11 | C12 | C13 | 117.9° | 119.3° |
| C12 | C11 | C10 | 121.5° | 118.5° |
| C11 | C12 | H5 | 121.1° | 120.3° |
| C12 | C13 | N2 | 123.3° | 120.8° |
| C13 | C12 | H5 | 121.0° | 120.3° |
| C12 | C13 | H6 | 118.4° | 119.6° |
| C11 | C10 | C9 | 116.5° | 119.1° |
| C11 | C10 | H4 | 121.8° | 120.5° |
| C13 | N2 | C9 | 117.8° | 121.7° |
| N2 | C13 | H6 | 118.4° | 119.6° |
| C10 | C9 | N2 | 123.1° | 120.6° |
| C10 | C9 | N1 | 119.3° | 119.7° |
| C9 | C10 | H4 | 121.7° | 120.5° |
| N2 | C9 | N1 | 117.6° | 119.7° |
| C9 | N1 | C7 | 130.2° | 120.0° |
| C9 | N1 | H7 | 114.9° | 120.0° |
| N1 | C7 | C6 | 119.9° | 120.0° |
| N1 | C7 | C8 | 120.2° | 120.0° |
| C7 | N1 | H7 | 114.9° | 120.0° |
| C6 | C7 | C8 | 119.9° | 119.9° |
| C7 | C6 | C5 | 120.0° | 120.1° |
| C7 | C6 | H8 | 120.0° | 120.0° |
| C7 | C8 | C3 | 119.5° | 119.8° |
| C7 | C8 | H3 | 120.3° | 120.1° |
| C6 | C5 | C4 | 120.5° | 120.1° |
| C5 | C6 | H8 | 120.0° | 119.9° |
| C6 | C5 | H9 | 119.7° | 120.0° |
| C8 | C3 | C4 | 120.6° | 120.0° |
| C8 | C3 | O1 | 128.9° | 120.0° |
| C3 | C8 | H3 | 120.3° | 120.1° |
| C5 | C4 | C3 | 119.5° | 120.1° |
| C4 | C5 | H9 | 119.7° | 119.9° |
| C5 | C4 | H10 | 120.3° | 119.9° |
| C4 | C3 | O1 | 110.2° | 120.0° |
| C3 | C4 | H10 | 120.2° | 119.9° |
| C3 | O1 | C2 | 121.0° | 117.0° |
| O1 | C2 | C1 | 111.8° | 109.5° |
| O1 | C2 | H1 | 108.9° | 109.5° |
| O1 | C2 | H2 | 108.9° | 109.4° |
| C2 | C1 | N | 116.1° | 120.0° |
| C2 | C1 | O | 120.5° | 120.0° |
| C1 | C2 | H1 | 108.9° | 109.5° |
| C1 | C2 | H2 | 108.9° | 109.5° |
| N | C1 | O | 123.3° | 120.0° |
| C1 | N | C | 122.8° | 120.0° |
| C1 | N | H11 | 118.6° | 120.0° |
| C | N | H11 | 118.6° | 120.0° |
| N | C | H12 | 109.5° | 109.5° |
| N | C | H13 | 109.5° | 109.4° |
| N | C | H14 | 109.5° | 109.5° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H12 | C | H13 | 109.5° | 109.5° |
| H12 | C | H14 | 109.4° | 109.5° |
| H13 | C | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C11 | C12 | C10 | 179.9° | 179.9° |
| CL | C11 | C12 | C13 | 180.0° | 180.0° |
| CL | C11 | C10 | C9 | 180.0° | 180.0° |
| CL | C11 | C10 | H4 | 0.0° | 0.0° |
| CL | C11 | C12 | H5 | 0.0° | 0.1° |
| C11 | C12 | C13 | H5 | 180.0° | 179.9° |
| C11 | C12 | C13 | N2 | 0.1° | 0.3° |
| C12 | C11 | C10 | C9 | 0.1° | 0.0° |
| C12 | C11 | C10 | H4 | 179.9° | 180.0° |
| C11 | C12 | C13 | H6 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.0° | 0.1° |
| C12 | C13 | N2 | H6 | 180.0° | 179.7° |
| C12 | C13 | N2 | C9 | 0.1° | 0.5° |
| C11 | C10 | C9 | H4 | 180.0° | 180.0° |
| C11 | C10 | C9 | N2 | 0.1° | 0.2° |
| C11 | C10 | C9 | N1 | 179.8° | 180.0° |
| C10 | C11 | C12 | H5 | 180.0° | 180.0° |
| C13 | N2 | C9 | C10 | 0.0° | 0.5° |
| C13 | N2 | C9 | N1 | 179.9° | 179.8° |
| N2 | C13 | C12 | H5 | 179.9° | 179.8° |
| C10 | C9 | N2 | N1 | 179.9° | 179.7° |
| C10 | C9 | N1 | C7 | 177.9° | 174.0° |
| C10 | C9 | N1 | H7 | 2.0° | 5.9° |
| N2 | C9 | N1 | C7 | 2.0° | 6.2° |
| N2 | C9 | C10 | H4 | 180.0° | 179.7° |
| C9 | N2 | C13 | H6 | 179.9° | 179.7° |
| N2 | C9 | N1 | H7 | 178.1° | 173.8° |
| C9 | N1 | C7 | H7 | 180.0° | 179.9° |
| C9 | N1 | C7 | C6 | 25.4° | 142.8° |
| C9 | N1 | C7 | C8 | 154.3° | 37.4° |
| N1 | C9 | C10 | H4 | 0.1° | 0.0° |
| N1 | C7 | C6 | C8 | 179.7° | 179.8° |
| N1 | C7 | C6 | C5 | 179.6° | 180.0° |
| N1 | C7 | C8 | C3 | 179.3° | 179.8° |
| N1 | C7 | C8 | H3 | 0.7° | 0.2° |
| N1 | C7 | C6 | H8 | 0.4° | 0.2° |
| C7 | C6 | C5 | H8 | 180.0° | 179.7° |
| C6 | C7 | C8 | C3 | 1.0° | 0.0° |
| C7 | C6 | C5 | C4 | 0.0° | 0.5° |
| C6 | C7 | C8 | H3 | 179.0° | 180.0° |
| C6 | C7 | N1 | H7 | 154.7° | 37.2° |
| C7 | C6 | C5 | H9 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.1° | 0.2° |
| C7 | C8 | C3 | H3 | 180.0° | 180.0° |
| C7 | C8 | C3 | C4 | 2.1° | 0.0° |
| C7 | C8 | C3 | O1 | 170.6° | 179.7° |
| C8 | C7 | N1 | H7 | 25.6° | 142.6° |
| C8 | C7 | C6 | H8 | 179.9° | 180.0° |
| C6 | C5 | C4 | H9 | 180.0° | 179.5° |
| C6 | C5 | C4 | C3 | 1.0° | 0.5° |
| C6 | C5 | C4 | H10 | 179.0° | 179.4° |
| C8 | C3 | C4 | C5 | 2.1° | 0.3° |
| C8 | C3 | C4 | O1 | 173.9° | 179.7° |
| C8 | C3 | O1 | C2 | 3.5° | 179.7° |
| C8 | C3 | C4 | H10 | 177.9° | 179.7° |
| C5 | C4 | C3 | H10 | 180.0° | 179.9° |
| C5 | C4 | C3 | O1 | 171.8° | 180.0° |
| C4 | C5 | C6 | H8 | 180.0° | 179.8° |
| C4 | C3 | O1 | C2 | 176.8° | 0.0° |
| C4 | C3 | C8 | H3 | 177.9° | 180.0° |
| C3 | C4 | C5 | H9 | 179.0° | 180.0° |
| C3 | O1 | C2 | C1 | 179.9° | 180.0° |
| C3 | O1 | C2 | H1 | 59.7° | 60.0° |
| C3 | O1 | C2 | H2 | 59.6° | 60.0° |
| O1 | C3 | C8 | H3 | 9.4° | 0.3° |
| O1 | C3 | C4 | H10 | 8.1° | 0.1° |
| O1 | C2 | C1 | H1 | 120.3° | 120.0° |
| O1 | C2 | C1 | H2 | 120.4° | 120.0° |
| O1 | C2 | C1 | N | 180.0° | 180.0° |
| O1 | C2 | C1 | O | 0.0° | 0.2° |
| O1 | C2 | H1 | H2 | 119.0° | 119.9° |
| C2 | C1 | N | O | 180.0° | 179.8° |
| C2 | C1 | N | C | 180.0° | 179.7° |
| C1 | C2 | H1 | H2 | 118.9° | 120.0° |
| C2 | C1 | N | H11 | 0.0° | 0.3° |
| C1 | N | C | H11 | 180.0° | 180.0° |
| N | C1 | C2 | H1 | 59.6° | 60.0° |
| N | C1 | C2 | H2 | 59.7° | 60.1° |
| C1 | N | C | H12 | 180.0° | 180.0° |
| C1 | N | C | H13 | 60.0° | 60.0° |
| C1 | N | C | H14 | 60.0° | 59.9° |
| O | C1 | N | C | 0.1° | 0.1° |
| O | C1 | C2 | H1 | 120.3° | 120.2° |
| O | C1 | C2 | H2 | 120.4° | 119.7° |
| O | C1 | N | H11 | 180.0° | 179.9° |
| N | C | H12 | H13 | 120.0° | 119.9° |
| N | C | H12 | H14 | 120.0° | 120.0° |
| N | C | H13 | H14 | 120.0° | 120.0° |
| H5 | C12 | C13 | H6 | 0.1° | 0.0° |
| H8 | C6 | C5 | H9 | 0.0° | 0.3° |
| H9 | C5 | C4 | H10 | 1.0° | 0.1° |
| H11 | N | C | H12 | 0.0° | 0.0° |
| H11 | N | C | H13 | 120.0° | 120.0° |
| H11 | N | C | H14 | 120.0° | 120.1° |
| H12 | C | H13 | H14 | 120.0° | 120.1° |
