N83
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.33Å | 1.30Å | |
| C2 | C3 | sing | 1.47Å | 1.47Å | |
| C11 | N10 | doub | 1.32Å | 1.34Å | Aromatic |
| C11 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| N5 | C6 | sing | 1.40Å | 1.41Å | |
| N5 | C3 | sing | 1.35Å | 1.35Å | |
| N10 | C9 | sing | 1.32Å | 1.33Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | O4 | doub | 1.22Å | 1.24Å | |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.37Å | Aromatic |
| C1 | H12 | sing | 1.08Å | 1.08Å | |
| C1 | H13 | sing | 1.08Å | 1.08Å | |
| C2 | H14 | sing | 1.08Å | 1.08Å | |
| C7 | H16 | sing | 1.08Å | 1.08Å | |
| C8 | H17 | sing | 1.08Å | 1.08Å | |
| C11 | H19 | sing | 1.08Å | 1.08Å | |
| N5 | H15 | sing | 0.97Å | 1.00Å | |
| C9 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 125.8° | 120.0° |
| C2 | C1 | H12 | 120.0° | 120.0° |
| C2 | C1 | H13 | 120.0° | 119.9° |
| C1 | C2 | H14 | 117.1° | 119.9° |
| C2 | C3 | N5 | 115.9° | 120.0° |
| C2 | C3 | O4 | 121.1° | 120.0° |
| C3 | C2 | H14 | 117.1° | 120.0° |
| N10 | C11 | C6 | 122.8° | 120.7° |
| C11 | N10 | C9 | 117.7° | 121.8° |
| N10 | C11 | H19 | 118.6° | 119.7° |
| C11 | C6 | N5 | 119.2° | 120.5° |
| C11 | C6 | C7 | 118.4° | 119.0° |
| C6 | C11 | H19 | 118.6° | 119.6° |
| C6 | N5 | C3 | 128.6° | 120.0° |
| N5 | C6 | C7 | 122.4° | 120.5° |
| C6 | N5 | H15 | 115.7° | 120.0° |
| N5 | C3 | O4 | 123.0° | 120.0° |
| C3 | N5 | H15 | 115.7° | 120.0° |
| N10 | C9 | C8 | 123.2° | 121.0° |
| N10 | C9 | H18 | 118.4° | 119.5° |
| C6 | C7 | C8 | 119.0° | 118.4° |
| C6 | C7 | H16 | 120.5° | 120.8° |
| C9 | C8 | C7 | 118.9° | 119.2° |
| C9 | C8 | H17 | 120.5° | 120.4° |
| C8 | C9 | H18 | 118.4° | 119.5° |
| C8 | C7 | H16 | 120.5° | 120.8° |
| C7 | C8 | H17 | 120.6° | 120.4° |
| H12 | C1 | H13 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H14 | 180.0° | 180.0° |
| C1 | C2 | C3 | N5 | 150.2° | 180.0° |
| C1 | C2 | C3 | O4 | 29.5° | 0.0° |
| C2 | C1 | H12 | H13 | 180.0° | 179.9° |
| C2 | C3 | N5 | C6 | 172.9° | 175.3° |
| C2 | C3 | N5 | O4 | 179.6° | 180.0° |
| C3 | C2 | C1 | H12 | 0.0° | 180.0° |
| C3 | C2 | C1 | H13 | 180.0° | 0.2° |
| C2 | C3 | N5 | H15 | 7.1° | 4.7° |
| N10 | C11 | C6 | H19 | 180.0° | 180.0° |
| N10 | C11 | C6 | N5 | 179.3° | 179.7° |
| N10 | C11 | C6 | C7 | 0.0° | 0.0° |
| C11 | N10 | C9 | C8 | 0.8° | 0.1° |
| C11 | N10 | C9 | H18 | 179.2° | 180.0° |
| C11 | C6 | N5 | C7 | 179.2° | 179.7° |
| C11 | C6 | N5 | C3 | 170.0° | 145.3° |
| C6 | C11 | N10 | C9 | 0.7° | 0.0° |
| C11 | C6 | C7 | C8 | 0.7° | 0.0° |
| C11 | C6 | C7 | H16 | 179.3° | 179.9° |
| C11 | C6 | N5 | H15 | 10.0° | 34.7° |
| C6 | N5 | C3 | H15 | 180.0° | 180.0° |
| C6 | N5 | C3 | O4 | 7.5° | 4.7° |
| N5 | C6 | C7 | C8 | 180.0° | 179.7° |
| N5 | C6 | C7 | H16 | 0.1° | 0.4° |
| N5 | C6 | C11 | H19 | 0.7° | 0.3° |
| C3 | N5 | C6 | C7 | 10.8° | 35.0° |
| N5 | C3 | C2 | H14 | 29.8° | 0.0° |
| N10 | C9 | C8 | H18 | 180.0° | 179.9° |
| N10 | C9 | C8 | C7 | 0.1° | 0.1° |
| N10 | C9 | C8 | H17 | 179.9° | 180.0° |
| C9 | N10 | C11 | H19 | 179.3° | 180.0° |
| C6 | C7 | C8 | C9 | 0.6° | 0.0° |
| C6 | C7 | C8 | H16 | 180.0° | 179.9° |
| C6 | C7 | C8 | H17 | 179.4° | 179.9° |
| C7 | C6 | C11 | H19 | 179.9° | 180.0° |
| C7 | C6 | N5 | H15 | 169.2° | 145.0° |
| O4 | C3 | C2 | H14 | 150.5° | 180.0° |
| O4 | C3 | N5 | H15 | 172.5° | 175.3° |
| C9 | C8 | C7 | H17 | 180.0° | 179.9° |
| C9 | C8 | C7 | H16 | 179.4° | 179.9° |
| C7 | C8 | C9 | H18 | 179.9° | 180.0° |
| H12 | C1 | C2 | H14 | 180.0° | 0.1° |
| H13 | C1 | C2 | H14 | 0.0° | 179.8° |
| H16 | C7 | C8 | H17 | 0.6° | 0.0° |
| H17 | C8 | C9 | H18 | 0.1° | 0.1° |
