L6D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C7 | doub | 1.30Å | 1.31Å | Aromatic |
| N2 | C8 | sing | 1.36Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.37Å | 1.39Å | Aromatic |
| C7 | N1 | sing | 1.36Å | 1.36Å | Aromatic |
| C8 | C13 | sing | 1.41Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| N1 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | N | sing | 1.40Å | 1.39Å | |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| N | C6 | sing | 1.35Å | 1.35Å | |
| CL | C | sing | 1.74Å | 1.74Å | |
| O | C6 | doub | 1.21Å | 1.23Å | |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| C14 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | N2 | C8 | 104.7° | 109.7° |
| N2 | C7 | N1 | 113.1° | 110.1° |
| N2 | C7 | H3 | 123.4° | 125.0° |
| N2 | C8 | C9 | 129.7° | 133.6° |
| N2 | C8 | C13 | 110.4° | 106.9° |
| C8 | C9 | C10 | 118.7° | 119.9° |
| C9 | C8 | C13 | 119.6° | 119.5° |
| C8 | C9 | H12 | 120.6° | 120.1° |
| C9 | C10 | C11 | 120.9° | 120.7° |
| C9 | C10 | H4 | 119.6° | 119.7° |
| C10 | C9 | H12 | 120.7° | 120.1° |
| C7 | N1 | C13 | 107.6° | 107.3° |
| C7 | N1 | N | 126.9° | 126.4° |
| N1 | C7 | H3 | 123.4° | 124.9° |
| C8 | C13 | N1 | 104.2° | 106.0° |
| C8 | C13 | C12 | 122.2° | 119.8° |
| C10 | C11 | C12 | 120.9° | 120.4° |
| C11 | C10 | H4 | 119.6° | 119.7° |
| C10 | C11 | H11 | 119.5° | 119.8° |
| C13 | N1 | N | 125.4° | 126.3° |
| N1 | C13 | C12 | 132.8° | 134.2° |
| N1 | N | C6 | 119.1° | 120.0° |
| N1 | N | H9 | 120.4° | 120.0° |
| C13 | C12 | C11 | 117.6° | 119.7° |
| C13 | C12 | H10 | 121.2° | 120.1° |
| C11 | C12 | H10 | 121.2° | 120.2° |
| C12 | C11 | H11 | 119.5° | 119.8° |
| N | C6 | O | 123.4° | 120.0° |
| N | C6 | C5 | 114.9° | 120.0° |
| C6 | N | H9 | 120.4° | 120.0° |
| CL | C | C14 | 118.8° | 120.0° |
| CL | C | C1 | 119.4° | 120.0° |
| O | C6 | C5 | 121.7° | 120.1° |
| C6 | C5 | C4 | 110.2° | 109.4° |
| C6 | C5 | H1 | 109.3° | 109.5° |
| C6 | C5 | H2 | 109.3° | 109.5° |
| C | C14 | C4 | 119.6° | 120.0° |
| C14 | C | C1 | 121.8° | 120.0° |
| C | C14 | H8 | 120.2° | 120.0° |
| C14 | C4 | C5 | 119.8° | 120.0° |
| C14 | C4 | C3 | 118.9° | 120.0° |
| C4 | C14 | H8 | 120.2° | 120.0° |
| C | C1 | C2 | 118.6° | 120.0° |
| C | C1 | H7 | 120.7° | 120.1° |
| C5 | C4 | C3 | 120.8° | 120.0° |
| C4 | C5 | H1 | 109.3° | 109.4° |
| C4 | C5 | H2 | 109.3° | 109.5° |
| C4 | C3 | C2 | 120.7° | 120.0° |
| C4 | C3 | H5 | 119.6° | 120.0° |
| C1 | C2 | C3 | 120.2° | 120.0° |
| C1 | C2 | H6 | 119.9° | 120.0° |
| C2 | C1 | H7 | 120.7° | 120.0° |
| C2 | C3 | H5 | 119.6° | 120.0° |
| C3 | C2 | H6 | 119.9° | 119.9° |
| H1 | C5 | H2 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | N2 | C8 | C9 | 171.7° | 179.9° |
| N2 | C7 | N1 | H3 | 180.0° | 180.0° |
| C7 | N2 | C8 | C13 | 1.6° | 0.4° |
| N2 | C7 | N1 | C13 | 0.8° | 0.0° |
| N2 | C7 | N1 | N | 176.8° | 179.7° |
| N2 | C8 | C9 | C13 | 172.7° | 179.5° |
| N2 | C8 | C9 | C10 | 172.1° | 179.5° |
| C8 | N2 | C7 | N1 | 0.4° | 0.3° |
| N2 | C8 | C13 | N1 | 2.0° | 0.4° |
| N2 | C8 | C13 | C12 | 173.2° | 179.6° |
| C8 | N2 | C7 | H3 | 179.6° | 179.7° |
| N2 | C8 | C9 | H12 | 7.8° | 0.5° |
| C8 | C9 | C10 | H12 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.1° | 0.1° |
| C9 | C8 | C13 | N1 | 172.0° | 180.0° |
| C9 | C8 | C13 | C12 | 0.8° | 0.0° |
| C8 | C9 | C10 | H4 | 179.9° | 179.9° |
| C10 | C9 | C8 | C13 | 0.6° | 0.1° |
| C9 | C10 | C11 | H4 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.2° | 0.0° |
| C9 | C10 | C11 | H11 | 179.8° | 180.0° |
| C7 | N1 | C13 | C8 | 1.7° | 0.2° |
| C7 | N1 | C13 | N | 177.7° | 179.7° |
| C7 | N1 | C13 | C12 | 171.5° | 179.8° |
| C7 | N1 | N | C6 | 94.1° | 0.3° |
| C7 | N1 | N | H9 | 85.9° | 179.7° |
| C8 | C13 | N1 | C12 | 169.8° | 180.0° |
| C8 | C13 | N1 | N | 175.9° | 180.0° |
| C8 | C13 | C12 | C11 | 0.5° | 0.0° |
| C8 | C13 | C12 | H10 | 179.5° | 180.0° |
| C13 | C8 | C9 | H12 | 179.4° | 180.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | H10 | 180.0° | 180.0° |
| C11 | C10 | C9 | H12 | 179.9° | 180.0° |
| N1 | C13 | C12 | C11 | 168.8° | 180.0° |
| C13 | N1 | N | C6 | 83.1° | 180.0° |
| C13 | N1 | C7 | H3 | 179.1° | 180.0° |
| C13 | N1 | N | H9 | 96.9° | 0.0° |
| N1 | C13 | C12 | H10 | 11.2° | 0.0° |
| N | N1 | C13 | C12 | 6.1° | 0.0° |
| N1 | N | C6 | H9 | 180.0° | 180.0° |
| N1 | N | C6 | O | 12.2° | 0.0° |
| N1 | N | C6 | C5 | 166.1° | 180.0° |
| N | N1 | C7 | H3 | 3.3° | 0.3° |
| C13 | C12 | C11 | H10 | 180.0° | 179.9° |
| C13 | C12 | C11 | H11 | 180.0° | 180.0° |
| C12 | C11 | C10 | H4 | 179.8° | 180.0° |
| N | C6 | O | C5 | 178.2° | 180.0° |
| N | C6 | C5 | C4 | 136.6° | 180.0° |
| N | C6 | C5 | H1 | 103.3° | 60.1° |
| N | C6 | C5 | H2 | 16.5° | 60.0° |
| CL | C | C14 | C1 | 179.2° | 179.4° |
| CL | C | C14 | C4 | 179.6° | 180.0° |
| CL | C | C1 | C2 | 176.7° | 179.7° |
| CL | C | C1 | H7 | 3.2° | 0.3° |
| CL | C | C14 | H8 | 0.4° | 0.6° |
| O | C6 | C5 | C4 | 45.0° | 0.0° |
| O | C6 | C5 | H1 | 75.1° | 120.0° |
| O | C6 | C5 | H2 | 165.2° | 120.0° |
| O | C6 | N | H9 | 167.8° | 180.0° |
| C6 | C5 | C4 | C14 | 67.8° | 90.3° |
| C6 | C5 | C4 | H1 | 120.1° | 119.9° |
| C6 | C5 | C4 | H2 | 120.1° | 120.0° |
| C6 | C5 | C4 | C3 | 103.8° | 90.1° |
| C6 | C5 | H1 | H2 | 119.6° | 120.1° |
| C5 | C6 | N | H9 | 13.9° | 0.0° |
| C | C14 | C4 | H8 | 180.0° | 179.4° |
| C | C14 | C4 | C5 | 168.2° | 179.8° |
| C | C14 | C4 | C3 | 3.6° | 0.6° |
| C14 | C | C1 | C2 | 2.5° | 0.3° |
| C14 | C | C1 | H7 | 177.5° | 179.7° |
| C4 | C14 | C | C1 | 0.4° | 0.6° |
| C14 | C4 | C5 | C3 | 171.6° | 179.6° |
| C14 | C4 | C3 | C2 | 3.9° | 0.3° |
| C14 | C4 | C5 | H1 | 172.0° | 29.6° |
| C14 | C4 | C5 | H2 | 52.3° | 149.7° |
| C14 | C4 | C3 | H5 | 176.1° | 179.8° |
| C | C1 | C2 | H7 | 180.0° | 180.0° |
| C | C1 | C2 | C3 | 2.1° | 0.0° |
| C | C1 | C2 | H6 | 177.9° | 180.0° |
| C1 | C | C14 | H8 | 179.6° | 180.0° |
| C5 | C4 | C3 | C2 | 167.8° | 180.0° |
| C4 | C5 | H1 | H2 | 119.7° | 120.0° |
| C5 | C4 | C3 | H5 | 12.2° | 0.1° |
| C5 | C4 | C14 | H8 | 11.8° | 0.3° |
| C4 | C3 | C2 | C1 | 1.1° | 0.1° |
| C4 | C3 | C2 | H5 | 180.0° | 179.9° |
| C3 | C4 | C5 | H1 | 16.3° | 150.0° |
| C3 | C4 | C5 | H2 | 136.1° | 29.9° |
| C4 | C3 | C2 | H6 | 178.9° | 179.9° |
| C3 | C4 | C14 | H8 | 176.4° | 180.0° |
| C1 | C2 | C3 | H6 | 180.0° | 180.0° |
| C1 | C2 | C3 | H5 | 178.9° | 180.0° |
| C3 | C2 | C1 | H7 | 177.9° | 180.0° |
| H4 | C10 | C11 | H11 | 0.2° | 0.0° |
| H4 | C10 | C9 | H12 | 0.1° | 0.0° |
| H5 | C3 | C2 | H6 | 1.1° | 0.0° |
| H6 | C2 | C1 | H7 | 2.1° | 0.0° |
| H10 | C12 | C11 | H11 | 0.0° | 0.0° |
