5LP
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 | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| N2 | C13 | sing | 1.40Å | 1.39Å | |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | N1 | sing | 1.40Å | 1.42Å | |
| N1 | C7 | sing | 1.35Å | 1.37Å | |
| O | C5 | doub | 1.22Å | 1.22Å | |
| C7 | N | sing | 1.35Å | 1.38Å | |
| C7 | O2 | doub | 1.22Å | 1.23Å | |
| C5 | O1 | sing | 1.35Å | 1.31Å | |
| C5 | C4 | sing | 1.47Å | 1.51Å | |
| N | C6 | sing | 1.39Å | 1.42Å | |
| C6 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.51Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| O1 | H13 | sing | 0.97Å | 0.95Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C11 | C12 | 119.2° | 119.9° |
| CL | C11 | C10 | 119.1° | 119.9° |
| C11 | C12 | C13 | 119.6° | 120.0° |
| C12 | C11 | C10 | 121.8° | 120.2° |
| C11 | C12 | H11 | 120.2° | 120.0° |
| C12 | C13 | N2 | 120.4° | 120.1° |
| C12 | C13 | C8 | 119.1° | 119.8° |
| C13 | C12 | H11 | 120.2° | 120.0° |
| N2 | C13 | C8 | 120.4° | 120.1° |
| C13 | N2 | H3 | 109.5° | 120.0° |
| C13 | N2 | H4 | 109.4° | 120.0° |
| C11 | C10 | C9 | 119.3° | 120.2° |
| C11 | C10 | H9 | 120.4° | 119.9° |
| C13 | C8 | C9 | 119.6° | 119.8° |
| C13 | C8 | N1 | 118.7° | 120.1° |
| C10 | C9 | C8 | 120.6° | 120.0° |
| C9 | C10 | H9 | 120.4° | 119.9° |
| C10 | C9 | H10 | 119.7° | 120.0° |
| C9 | C8 | N1 | 121.7° | 120.1° |
| C8 | C9 | H10 | 119.7° | 120.0° |
| C8 | N1 | C7 | 127.2° | 120.0° |
| C8 | N1 | H12 | 116.4° | 120.0° |
| N1 | C7 | N | 112.6° | 120.0° |
| N1 | C7 | O2 | 123.4° | 120.0° |
| C7 | N1 | H12 | 116.4° | 120.1° |
| O | C5 | O1 | 122.1° | 120.0° |
| O | C5 | C4 | 121.9° | 120.0° |
| N | C7 | O2 | 124.0° | 120.0° |
| C7 | N | C6 | 127.2° | 120.0° |
| C7 | N | H1 | 116.4° | 120.0° |
| O1 | C5 | C4 | 116.0° | 120.0° |
| C5 | O1 | H13 | 109.5° | 116.9° |
| C5 | C4 | C6 | 122.2° | 120.2° |
| C5 | C4 | C3 | 119.2° | 120.2° |
| N | C6 | C4 | 119.5° | 120.2° |
| N | C6 | C14 | 121.2° | 120.2° |
| C6 | N | H1 | 116.4° | 120.0° |
| C4 | C6 | C14 | 119.3° | 119.6° |
| C6 | C4 | C3 | 118.5° | 119.6° |
| C6 | C14 | C1 | 122.0° | 120.0° |
| C6 | C14 | H14 | 119.0° | 120.0° |
| C4 | C3 | C2 | 120.7° | 120.0° |
| C4 | C3 | H5 | 119.7° | 120.0° |
| C14 | C1 | C2 | 118.0° | 120.5° |
| C14 | C1 | C | 120.8° | 119.7° |
| C1 | C14 | H14 | 119.0° | 120.0° |
| C3 | C2 | C1 | 121.5° | 120.3° |
| C3 | C2 | H2 | 119.3° | 119.8° |
| C2 | C3 | H5 | 119.6° | 120.0° |
| C2 | C1 | C | 121.2° | 119.8° |
| C1 | C2 | H2 | 119.3° | 119.9° |
| C1 | C | H6 | 109.5° | 109.5° |
| C1 | C | H7 | 109.5° | 109.4° |
| C1 | C | H8 | 109.4° | 109.5° |
| H3 | N2 | H4 | 109.5° | 120.0° |
| H6 | C | H7 | 109.4° | 109.5° |
| H6 | C | H8 | 109.5° | 109.5° |
| H7 | C | H8 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C11 | C12 | C10 | 178.2° | 179.7° |
| CL | C11 | C12 | C13 | 178.7° | 180.0° |
| CL | C11 | C10 | C9 | 178.1° | 180.0° |
| CL | C11 | C10 | H9 | 1.9° | 0.1° |
| CL | C11 | C12 | H11 | 1.3° | 0.0° |
| C11 | C12 | C13 | H11 | 180.0° | 180.0° |
| C11 | C12 | C13 | N2 | 179.3° | 180.0° |
| C11 | C12 | C13 | C8 | 0.3° | 0.0° |
| C12 | C11 | C10 | C9 | 0.1° | 0.3° |
| C12 | C11 | C10 | H9 | 179.9° | 179.8° |
| C12 | C13 | N2 | C8 | 179.6° | 180.0° |
| C13 | C12 | C11 | C10 | 0.4° | 0.3° |
| C12 | C13 | C8 | C9 | 0.3° | 0.2° |
| C12 | C13 | C8 | N1 | 179.4° | 180.0° |
| C12 | C13 | N2 | H3 | 180.0° | 0.0° |
| C12 | C13 | N2 | H4 | 60.0° | 180.0° |
| N2 | C13 | C8 | C9 | 179.9° | 179.8° |
| N2 | C13 | C8 | N1 | 1.0° | 0.0° |
| C13 | N2 | H3 | H4 | 120.0° | 180.0° |
| N2 | C13 | C12 | H11 | 0.7° | 0.0° |
| C11 | C10 | C9 | H9 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 0.8° | 0.1° |
| C11 | C10 | C9 | H10 | 179.2° | 180.0° |
| C10 | C11 | C12 | H11 | 179.6° | 179.7° |
| C13 | C8 | C9 | C10 | 0.9° | 0.2° |
| C13 | C8 | C9 | N1 | 179.1° | 179.8° |
| C13 | C8 | N1 | C7 | 146.6° | 155.0° |
| C8 | C13 | N2 | H3 | 0.4° | 180.0° |
| C8 | C13 | N2 | H4 | 119.6° | 0.0° |
| C13 | C8 | C9 | H10 | 179.1° | 179.8° |
| C8 | C13 | C12 | H11 | 179.7° | 180.0° |
| C13 | C8 | N1 | H12 | 33.4° | 25.0° |
| C10 | C9 | C8 | H10 | 180.0° | 180.0° |
| C10 | C9 | C8 | N1 | 180.0° | 180.0° |
| C9 | C8 | N1 | C7 | 34.3° | 24.8° |
| C8 | C9 | C10 | H9 | 179.2° | 179.9° |
| C9 | C8 | N1 | H12 | 145.7° | 155.2° |
| C8 | N1 | C7 | H12 | 180.0° | 180.0° |
| C8 | N1 | C7 | N | 178.4° | 174.3° |
| C8 | N1 | C7 | O2 | 2.3° | 5.7° |
| N1 | C8 | C9 | H10 | 0.0° | 0.0° |
| N1 | C7 | N | O2 | 179.4° | 180.0° |
| N1 | C7 | N | C6 | 174.0° | 175.3° |
| N1 | C7 | N | H1 | 6.0° | 4.4° |
| O | C5 | O1 | C4 | 179.0° | 179.9° |
| O | C5 | C4 | C6 | 8.8° | 5.0° |
| O | C5 | C4 | C3 | 171.9° | 175.1° |
| O | C5 | O1 | H13 | 0.0° | 0.1° |
| C7 | N | C6 | H1 | 180.0° | 179.7° |
| C7 | N | C6 | C4 | 156.2° | 144.9° |
| C7 | N | C6 | C14 | 21.4° | 35.3° |
| N | C7 | N1 | H12 | 1.7° | 5.7° |
| O2 | C7 | N | C6 | 5.4° | 4.7° |
| O2 | C7 | N | H1 | 174.6° | 175.6° |
| O2 | C7 | N1 | H12 | 177.7° | 174.3° |
| O1 | C5 | C4 | C6 | 172.1° | 175.0° |
| O1 | C5 | C4 | C3 | 7.1° | 5.0° |
| C5 | C4 | C6 | N | 1.2° | 0.1° |
| C5 | C4 | C6 | C3 | 179.2° | 179.9° |
| C5 | C4 | C6 | C14 | 178.8° | 180.0° |
| C5 | C4 | C3 | C2 | 177.7° | 180.0° |
| C5 | C4 | C3 | H5 | 2.3° | 0.1° |
| C4 | C5 | O1 | H13 | 179.0° | 180.0° |
| N | C6 | C4 | C14 | 177.6° | 179.9° |
| N | C6 | C4 | C3 | 178.0° | 180.0° |
| N | C6 | C14 | C1 | 176.1° | 179.7° |
| N | C6 | C14 | H14 | 3.9° | 0.1° |
| C4 | C6 | C14 | C1 | 1.5° | 0.4° |
| C6 | C4 | C3 | C2 | 1.6° | 0.1° |
| C4 | C6 | N | H1 | 23.8° | 34.8° |
| C6 | C4 | C3 | H5 | 178.4° | 180.0° |
| C4 | C6 | C14 | H14 | 178.5° | 180.0° |
| C14 | C6 | C4 | C3 | 0.4° | 0.1° |
| C6 | C14 | C1 | H14 | 180.0° | 179.7° |
| C6 | C14 | C1 | C2 | 2.2° | 0.6° |
| C6 | C14 | C1 | C | 176.4° | 180.0° |
| C14 | C6 | N | H1 | 158.6° | 145.1° |
| C4 | C3 | C2 | H5 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 0.9° | 0.3° |
| C4 | C3 | C2 | H2 | 179.1° | 180.0° |
| C14 | C1 | C2 | C3 | 1.0° | 0.6° |
| C14 | C1 | C2 | C | 178.6° | 179.4° |
| C14 | C1 | C2 | H2 | 179.0° | 179.7° |
| C14 | C1 | C | H6 | 90.7° | 90.0° |
| C14 | C1 | C | H7 | 149.3° | 150.0° |
| C14 | C1 | C | H8 | 29.3° | 30.0° |
| C3 | C2 | C1 | H2 | 180.0° | 179.7° |
| C3 | C2 | C1 | C | 177.6° | 180.0° |
| C1 | C2 | C3 | H5 | 179.1° | 179.7° |
| C2 | C1 | C | H6 | 90.7° | 90.6° |
| C2 | C1 | C | H7 | 29.3° | 29.5° |
| C2 | C1 | C | H8 | 149.3° | 149.4° |
| C2 | C1 | C14 | H14 | 177.9° | 179.7° |
| C | C1 | C2 | H2 | 2.4° | 0.3° |
| C1 | C | H6 | H7 | 120.0° | 120.0° |
| C1 | C | H6 | H8 | 120.0° | 120.0° |
| C1 | C | H7 | H8 | 120.0° | 120.0° |
| C | C1 | C14 | H14 | 3.5° | 0.3° |
| H2 | C2 | C3 | H5 | 0.9° | 0.1° |
| H6 | C | H7 | H8 | 120.0° | 120.0° |
| H9 | C10 | C9 | H10 | 0.8° | 0.1° |
