L43
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | N | sing | 1.28Å | 1.36Å | Aromatic |
| N1 | N2 | doub | 1.29Å | 1.29Å | Aromatic |
| N | C8 | doub | 1.32Å | 1.32Å | Aromatic |
| N2 | N3 | sing | 1.41Å | 1.35Å | Aromatic |
| C8 | N3 | sing | 1.36Å | 1.34Å | Aromatic |
| C8 | C7 | sing | 1.48Å | 1.47Å | |
| C9 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| O1 | C | doub | 1.21Å | 1.26Å | |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.48Å | 1.48Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.48Å | 1.51Å | |
| C | O | sing | 1.35Å | 1.25Å | |
| C3 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H | sing | 1.08Å | 1.08Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| O | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | N1 | N2 | 110.7° | 110.4° |
| N1 | N | C8 | 106.1° | 110.5° |
| N1 | N2 | N3 | 106.2° | 106.9° |
| N | C8 | N3 | 108.0° | 107.0° |
| N | C8 | C7 | 126.0° | 126.5° |
| N2 | N3 | C8 | 109.0° | 105.2° |
| N2 | N3 | H3 | 125.5° | 127.4° |
| N3 | C8 | C7 | 125.9° | 126.5° |
| C8 | N3 | H3 | 125.5° | 127.4° |
| C8 | C7 | C9 | 120.7° | 120.0° |
| C8 | C7 | C6 | 120.7° | 120.0° |
| C7 | C9 | C10 | 120.7° | 120.0° |
| C9 | C7 | C6 | 118.5° | 120.0° |
| C7 | C9 | H4 | 119.6° | 119.9° |
| C9 | C10 | C4 | 121.2° | 120.0° |
| C9 | C10 | H5 | 119.4° | 119.9° |
| C10 | C9 | H4 | 119.7° | 120.1° |
| C7 | C6 | C5 | 120.7° | 120.0° |
| C7 | C6 | H2 | 119.7° | 120.0° |
| C10 | C4 | C5 | 117.8° | 120.1° |
| C10 | C4 | C3 | 121.1° | 120.0° |
| C4 | C10 | H5 | 119.4° | 120.0° |
| O1 | C | C1 | 117.8° | 120.1° |
| O1 | C | O | 124.4° | 120.0° |
| C6 | C5 | C4 | 121.2° | 120.0° |
| C6 | C5 | H1 | 119.4° | 120.0° |
| C5 | C6 | H2 | 119.6° | 120.0° |
| C5 | C4 | C3 | 121.1° | 120.0° |
| C4 | C5 | H1 | 119.4° | 120.0° |
| C4 | C3 | C2 | 120.4° | 120.1° |
| C4 | C3 | C11 | 121.1° | 120.1° |
| C3 | C2 | C1 | 121.0° | 119.7° |
| C2 | C3 | C11 | 118.5° | 119.8° |
| C3 | C2 | H | 119.5° | 120.1° |
| C2 | C1 | C | 119.9° | 120.0° |
| C2 | C1 | C13 | 119.4° | 119.8° |
| C1 | C2 | H | 119.5° | 120.2° |
| C1 | C | O | 117.7° | 119.9° |
| C | C1 | C13 | 120.6° | 120.1° |
| C | O | H9 | 109.5° | 117.0° |
| C3 | C11 | C12 | 120.7° | 120.2° |
| C3 | C11 | H6 | 119.7° | 119.8° |
| C1 | C13 | C12 | 120.3° | 120.1° |
| C1 | C13 | H8 | 119.9° | 119.9° |
| C11 | C12 | C13 | 120.2° | 120.3° |
| C12 | C11 | H6 | 119.6° | 120.0° |
| C11 | C12 | H7 | 119.9° | 119.8° |
| C13 | C12 | H7 | 119.9° | 119.8° |
| C12 | C13 | H8 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | N1 | N2 | N3 | 0.1° | 0.0° |
| N1 | N | C8 | N3 | 0.1° | 0.0° |
| N1 | N | C8 | C7 | 177.0° | 180.0° |
| N2 | N1 | N | C8 | 0.1° | 0.0° |
| N1 | N2 | N3 | C8 | 0.0° | 0.0° |
| N1 | N2 | N3 | H3 | 180.0° | 180.0° |
| N | C8 | N3 | N2 | 0.0° | 0.0° |
| N | C8 | N3 | C7 | 177.1° | 180.0° |
| N | C8 | C7 | C9 | 9.7° | 179.5° |
| N | C8 | C7 | C6 | 172.4° | 0.0° |
| N | C8 | N3 | H3 | 179.9° | 180.0° |
| N2 | N3 | C8 | H3 | 180.0° | 180.0° |
| N2 | N3 | C8 | C7 | 177.0° | 180.0° |
| N3 | C8 | C7 | C9 | 173.7° | 0.5° |
| N3 | C8 | C7 | C6 | 4.1° | 180.0° |
| C8 | C7 | C9 | C6 | 177.9° | 179.5° |
| C8 | C7 | C9 | C10 | 177.7° | 179.8° |
| C8 | C7 | C6 | C5 | 178.0° | 180.0° |
| C7 | C8 | N3 | H3 | 3.0° | 0.0° |
| C8 | C7 | C6 | H2 | 2.0° | 0.0° |
| C8 | C7 | C9 | H4 | 2.3° | 0.5° |
| C7 | C9 | C10 | H4 | 180.0° | 179.2° |
| C7 | C9 | C10 | C4 | 0.5° | 0.5° |
| C9 | C7 | C6 | C5 | 0.1° | 0.5° |
| C9 | C7 | C6 | H2 | 179.9° | 179.5° |
| C7 | C9 | C10 | H5 | 179.5° | 179.5° |
| C10 | C9 | C7 | C6 | 0.2° | 0.8° |
| C9 | C10 | C4 | H5 | 180.0° | 180.0° |
| C9 | C10 | C4 | C5 | 0.5° | 0.0° |
| C9 | C10 | C4 | C3 | 178.5° | 179.7° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.1° | 0.0° |
| C7 | C6 | C5 | H1 | 179.9° | 180.0° |
| C6 | C7 | C9 | H4 | 179.8° | 180.0° |
| C10 | C4 | C5 | C6 | 0.1° | 0.3° |
| C10 | C4 | C5 | C3 | 179.0° | 179.7° |
| C10 | C4 | C3 | C2 | 25.4° | 0.3° |
| C10 | C4 | C3 | C11 | 156.0° | 179.7° |
| C10 | C4 | C5 | H1 | 179.8° | 179.8° |
| C4 | C10 | C9 | H4 | 179.5° | 179.7° |
| O1 | C | C1 | C2 | 5.2° | 0.0° |
| O1 | C | C1 | O | 177.1° | 180.0° |
| O1 | C | C1 | C13 | 178.2° | 180.0° |
| O1 | C | O | H9 | 0.0° | 0.0° |
| C6 | C5 | C4 | H1 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 178.9° | 180.0° |
| C5 | C4 | C3 | C2 | 153.6° | 180.0° |
| C5 | C4 | C3 | C11 | 25.0° | 0.0° |
| C4 | C5 | C6 | H2 | 179.8° | 180.0° |
| C5 | C4 | C10 | H5 | 179.6° | 180.0° |
| C4 | C3 | C2 | C11 | 178.7° | 180.0° |
| C4 | C3 | C2 | C1 | 177.7° | 180.0° |
| C4 | C3 | C11 | C12 | 178.3° | 180.0° |
| C4 | C3 | C2 | H | 2.3° | 0.3° |
| C3 | C4 | C5 | H1 | 1.2° | 0.1° |
| C3 | C4 | C10 | H5 | 1.4° | 0.3° |
| C4 | C3 | C11 | H6 | 1.8° | 0.0° |
| C3 | C2 | C1 | H | 180.0° | 179.7° |
| C3 | C2 | C1 | C | 176.0° | 180.0° |
| C3 | C2 | C1 | C13 | 0.7° | 0.0° |
| C2 | C3 | C11 | C12 | 0.4° | 0.0° |
| C2 | C3 | C11 | H6 | 179.6° | 180.0° |
| C2 | C1 | C | C13 | 176.6° | 180.0° |
| C2 | C1 | C | O | 171.9° | 180.0° |
| C1 | C2 | C3 | C11 | 0.9° | 0.0° |
| C2 | C1 | C13 | C12 | 0.1° | 0.0° |
| C2 | C1 | C13 | H8 | 179.9° | 180.0° |
| C | C1 | C13 | C12 | 176.7° | 180.0° |
| C | C1 | C2 | H | 4.0° | 0.2° |
| C | C1 | C13 | H8 | 3.3° | 0.0° |
| C1 | C | O | H9 | 176.8° | 180.0° |
| O | C | C1 | C13 | 4.8° | 0.0° |
| C3 | C11 | C12 | H6 | 180.0° | 180.0° |
| C3 | C11 | C12 | C13 | 0.4° | 0.0° |
| C11 | C3 | C2 | H | 179.1° | 179.7° |
| C3 | C11 | C12 | H7 | 179.6° | 180.0° |
| C1 | C13 | C12 | C11 | 0.6° | 0.0° |
| C1 | C13 | C12 | H8 | 180.0° | 180.0° |
| C13 | C1 | C2 | H | 179.3° | 179.7° |
| C1 | C13 | C12 | H7 | 179.4° | 180.0° |
| C11 | C12 | C13 | H7 | 180.0° | 180.0° |
| C11 | C12 | C13 | H8 | 179.4° | 180.0° |
| C13 | C12 | C11 | H6 | 179.6° | 180.0° |
| H1 | C5 | C6 | H2 | 0.1° | 0.0° |
| H5 | C10 | C9 | H4 | 0.5° | 0.3° |
| H6 | C11 | C12 | H7 | 0.4° | 0.1° |
| H7 | C12 | C13 | H8 | 0.6° | 0.0° |
