L35
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | N1 | sing | 1.40Å | 1.36Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | CL2 | sing | 1.74Å | 1.80Å | |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | CL1 | sing | 1.74Å | 1.79Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | N1 | sing | 1.35Å | 1.35Å | |
| C7 | N2 | sing | 1.35Å | 1.34Å | |
| C7 | O1 | doub | 1.22Å | 1.23Å | |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | O2 | sing | 1.36Å | 1.39Å | |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | N2 | sing | 1.40Å | 1.37Å | |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C16 | sing | 1.53Å | 1.52Å | |
| C14 | C17 | sing | 1.51Å | 1.51Å | |
| C14 | O2 | sing | 1.43Å | 1.45Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C17 | O3 | sing | 1.34Å | 1.25Å | |
| C17 | O4 | doub | 1.21Å | 1.25Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.5° | 119.9° |
| C2 | C1 | N1 | 121.7° | 120.0° |
| C1 | C2 | C3 | 120.7° | 119.9° |
| C1 | C2 | H2 | 119.7° | 120.1° |
| C6 | C1 | N1 | 118.8° | 120.1° |
| C1 | C6 | C5 | 119.7° | 120.0° |
| C1 | C6 | H6 | 120.2° | 120.0° |
| C1 | N1 | C7 | 130.5° | 120.0° |
| C1 | N1 | HN1 | 114.7° | 120.0° |
| C3 | C2 | H2 | 119.6° | 120.0° |
| C2 | C3 | C4 | 120.2° | 120.0° |
| C2 | C3 | CL2 | 119.2° | 119.9° |
| C4 | C3 | CL2 | 120.6° | 120.0° |
| C3 | C4 | C5 | 120.0° | 120.1° |
| C3 | C4 | H4 | 120.0° | 119.9° |
| C5 | C4 | H4 | 120.0° | 119.9° |
| C4 | C5 | C6 | 119.9° | 120.0° |
| C4 | C5 | CL1 | 118.0° | 120.0° |
| C6 | C5 | CL1 | 122.0° | 120.0° |
| C5 | C6 | H6 | 120.1° | 120.0° |
| N1 | C7 | N2 | 112.0° | 120.0° |
| N1 | C7 | O1 | 124.7° | 120.0° |
| C7 | N1 | HN1 | 114.7° | 120.0° |
| N2 | C7 | O1 | 120.7° | 120.0° |
| C7 | N2 | C11 | 129.7° | 120.0° |
| C7 | N2 | HN2 | 115.1° | 119.9° |
| C9 | C8 | C13 | 118.3° | 120.0° |
| C9 | C8 | O2 | 118.8° | 120.0° |
| C8 | C9 | C10 | 121.4° | 120.0° |
| C8 | C9 | H9 | 119.3° | 120.0° |
| C13 | C8 | O2 | 122.9° | 120.0° |
| C8 | C13 | C12 | 120.4° | 120.0° |
| C8 | C13 | H13 | 119.8° | 120.0° |
| C8 | O2 | C14 | 129.5° | 106.8° |
| C10 | C9 | H9 | 119.3° | 120.0° |
| C9 | C10 | C11 | 119.9° | 120.0° |
| C9 | C10 | H10 | 120.0° | 120.0° |
| C11 | C10 | H10 | 120.0° | 120.0° |
| C10 | C11 | C12 | 118.5° | 120.0° |
| C10 | C11 | N2 | 124.5° | 120.0° |
| C12 | C11 | N2 | 117.0° | 120.0° |
| C11 | C12 | C13 | 121.5° | 120.0° |
| C11 | C12 | H12 | 119.2° | 120.0° |
| C11 | N2 | HN2 | 115.2° | 120.0° |
| C13 | C12 | H12 | 119.3° | 120.0° |
| C12 | C13 | H13 | 119.8° | 120.0° |
| C15 | C14 | C16 | 109.4° | 109.5° |
| C15 | C14 | C17 | 111.2° | 109.4° |
| C15 | C14 | O2 | 112.1° | 109.5° |
| C14 | C15 | H151 | 109.5° | 109.5° |
| C14 | C15 | H152 | 109.5° | 109.5° |
| C14 | C15 | H153 | 109.5° | 109.4° |
| C16 | C14 | C17 | 105.3° | 109.5° |
| C16 | C14 | O2 | 106.6° | 109.5° |
| C14 | C16 | H161 | 109.5° | 109.5° |
| C14 | C16 | H162 | 109.4° | 109.5° |
| C14 | C16 | H163 | 109.5° | 109.5° |
| C17 | C14 | O2 | 111.9° | 109.5° |
| C14 | C17 | O3 | 118.5° | 120.0° |
| C14 | C17 | O4 | 119.6° | 120.0° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.4° | 109.5° |
| H152 | C15 | H153 | 109.5° | 109.4° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H161 | C16 | H163 | 109.4° | 109.4° |
| H162 | C16 | H163 | 109.5° | 109.4° |
| O3 | C17 | O4 | 121.8° | 120.0° |
| C17 | O3 | HO3 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | N1 | 179.3° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.5° |
| C1 | C2 | C3 | C4 | 0.3° | 0.5° |
| C1 | C2 | C3 | CL2 | 179.5° | 179.8° |
| C2 | C1 | C6 | C5 | 1.0° | 0.3° |
| C2 | C1 | C6 | H6 | 179.0° | 179.8° |
| C2 | C1 | N1 | C7 | 0.5° | 145.9° |
| C2 | C1 | N1 | HN1 | 179.5° | 34.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.5° |
| C6 | C1 | C2 | H2 | 179.9° | 180.0° |
| C1 | C6 | C5 | C4 | 1.5° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | CL1 | 179.6° | 180.0° |
| C6 | C1 | N1 | C7 | 178.8° | 34.3° |
| C6 | C1 | N1 | HN1 | 1.2° | 145.7° |
| N1 | C1 | C2 | C3 | 179.3° | 179.8° |
| N1 | C1 | C2 | H2 | 0.7° | 0.3° |
| N1 | C1 | C6 | C5 | 179.8° | 180.0° |
| N1 | C1 | C6 | H6 | 0.2° | 0.1° |
| C1 | N1 | C7 | HN1 | 180.0° | 180.0° |
| C1 | N1 | C7 | N2 | 159.2° | 174.0° |
| C1 | N1 | C7 | O1 | 2.5° | 6.0° |
| C2 | C3 | C4 | CL2 | 179.8° | 179.8° |
| C2 | C3 | C4 | C5 | 0.2° | 0.3° |
| C2 | C3 | C4 | H4 | 179.9° | 179.8° |
| H2 | C2 | C3 | C4 | 179.7° | 180.0° |
| H2 | C2 | C3 | CL2 | 0.5° | 0.2° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 1.1° | 0.1° |
| C3 | C4 | C5 | CL1 | 179.9° | 180.0° |
| CL2 | C3 | C4 | C5 | 179.9° | 180.0° |
| CL2 | C3 | C4 | H4 | 0.1° | 0.1° |
| C4 | C5 | C6 | CL1 | 179.0° | 179.9° |
| C4 | C5 | C6 | H6 | 178.6° | 180.0° |
| H4 | C4 | C5 | C6 | 179.0° | 180.0° |
| H4 | C4 | C5 | CL1 | 0.0° | 0.1° |
| CL1 | C5 | C6 | H6 | 0.4° | 0.1° |
| N1 | C7 | N2 | O1 | 162.5° | 180.0° |
| N1 | C7 | N2 | C11 | 174.3° | 174.0° |
| N1 | C7 | N2 | HN2 | 5.7° | 6.0° |
| C7 | N2 | C11 | C10 | 12.3° | 145.7° |
| C7 | N2 | C11 | C12 | 168.6° | 34.3° |
| C7 | N2 | C11 | HN2 | 180.0° | 180.0° |
| N2 | C7 | N1 | HN1 | 20.8° | 6.0° |
| O1 | C7 | N2 | C11 | 23.2° | 6.0° |
| O1 | C7 | N1 | HN1 | 177.5° | 174.0° |
| O1 | C7 | N2 | HN2 | 156.8° | 174.0° |
| C9 | C8 | C13 | O2 | 179.2° | 179.7° |
| C8 | C9 | C10 | H9 | 180.0° | 179.4° |
| C8 | C9 | C10 | C11 | 0.0° | 0.6° |
| C8 | C9 | C10 | H10 | 180.0° | 179.7° |
| C9 | C8 | C13 | C12 | 0.6° | 0.4° |
| C9 | C8 | C13 | H13 | 179.4° | 179.7° |
| C9 | C8 | O2 | C14 | 157.3° | 90.9° |
| C13 | C8 | C9 | C10 | 0.6° | 0.6° |
| C13 | C8 | C9 | H9 | 179.4° | 180.0° |
| C8 | C13 | C12 | C11 | 0.1° | 0.1° |
| C8 | C13 | C12 | H13 | 180.0° | 179.9° |
| C8 | C13 | C12 | H12 | 179.9° | 180.0° |
| C13 | C8 | O2 | C14 | 23.5° | 89.4° |
| O2 | C8 | C9 | C10 | 179.8° | 179.7° |
| O2 | C8 | C9 | H9 | 0.2° | 0.2° |
| O2 | C8 | C13 | C12 | 179.8° | 179.9° |
| O2 | C8 | C13 | H13 | 0.2° | 0.0° |
| C8 | O2 | C14 | C15 | 48.5° | 55.8° |
| C8 | O2 | C14 | C16 | 168.2° | 64.2° |
| C8 | O2 | C14 | C17 | 77.2° | 175.8° |
| C9 | C10 | C11 | H10 | 180.0° | 179.8° |
| C9 | C10 | C11 | C12 | 0.5° | 0.3° |
| C9 | C10 | C11 | N2 | 179.6° | 179.7° |
| H9 | C9 | C10 | C11 | 180.0° | 180.0° |
| H9 | C9 | C10 | H10 | 0.0° | 0.3° |
| C10 | C11 | C12 | N2 | 179.1° | 179.9° |
| C10 | C11 | C12 | C13 | 0.5° | 0.0° |
| C10 | C11 | C12 | H12 | 179.5° | 180.0° |
| C10 | C11 | N2 | HN2 | 167.7° | 34.4° |
| H10 | C10 | C11 | C12 | 179.5° | 180.0° |
| H10 | C10 | C11 | N2 | 0.4° | 0.1° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| C12 | C11 | N2 | HN2 | 11.4° | 145.7° |
| N2 | C11 | C12 | C13 | 179.6° | 179.9° |
| N2 | C11 | C12 | H12 | 0.4° | 0.1° |
| H12 | C12 | C13 | H13 | 0.1° | 0.0° |
| C15 | C14 | C16 | C17 | 119.5° | 120.0° |
| C15 | C14 | C16 | O2 | 121.4° | 120.0° |
| C15 | C14 | C17 | O2 | 126.2° | 120.0° |
| C14 | C15 | H151 | H152 | 120.0° | 120.1° |
| C14 | C15 | H151 | H153 | 120.0° | 120.0° |
| C14 | C15 | H152 | H153 | 120.0° | 120.0° |
| C15 | C14 | C16 | H161 | 103.7° | 64.0° |
| C15 | C14 | C16 | H162 | 16.3° | 176.0° |
| C15 | C14 | C16 | H163 | 136.3° | 56.0° |
| C15 | C14 | C17 | O3 | 153.7° | 60.0° |
| C15 | C14 | C17 | O4 | 27.8° | 120.0° |
| C16 | C14 | C17 | O2 | 115.4° | 120.0° |
| C16 | C14 | C15 | H151 | 126.6° | 67.4° |
| C16 | C14 | C15 | H152 | 6.6° | 172.5° |
| C16 | C14 | C15 | H153 | 113.4° | 52.5° |
| C14 | C16 | H161 | H162 | 120.0° | 120.0° |
| C14 | C16 | H161 | H163 | 120.0° | 120.1° |
| C14 | C16 | H162 | H163 | 120.0° | 120.0° |
| C16 | C14 | C17 | O3 | 87.9° | 60.0° |
| C16 | C14 | C17 | O4 | 90.5° | 120.1° |
| C17 | C14 | C15 | H151 | 117.5° | 52.5° |
| C17 | C14 | C15 | H152 | 122.4° | 67.5° |
| C17 | C14 | C15 | H153 | 2.4° | 172.5° |
| C17 | C14 | C16 | H161 | 15.8° | 176.0° |
| C17 | C14 | C16 | H162 | 135.8° | 56.0° |
| C17 | C14 | C16 | H163 | 104.2° | 64.0° |
| C14 | C17 | O3 | O4 | 178.4° | 180.0° |
| C14 | C17 | O3 | HO3 | 178.4° | 180.0° |
| O2 | C14 | C15 | H151 | 8.6° | 172.5° |
| O2 | C14 | C15 | H152 | 111.5° | 52.5° |
| O2 | C14 | C15 | H153 | 128.5° | 67.5° |
| O2 | C14 | C16 | H161 | 134.9° | 56.0° |
| O2 | C14 | C16 | H162 | 105.1° | 64.0° |
| O2 | C14 | C16 | H163 | 14.9° | 176.0° |
| O2 | C14 | C17 | O3 | 27.5° | 180.0° |
| O2 | C14 | C17 | O4 | 154.0° | 0.0° |
| H151 | C15 | H152 | H153 | 120.0° | 120.0° |
| H161 | C16 | H162 | H163 | 120.0° | 120.0° |
| O4 | C17 | O3 | HO3 | 0.0° | 0.0° |
