92P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| N3 | C9 | sing | 1.33Å | 1.35Å | Aromatic |
| C4 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| N5 | C6 | sing | 1.35Å | 1.37Å | Aromatic |
| N5 | C9 | sing | 1.38Å | 1.36Å | Aromatic |
| C6 | C7 | doub | 1.37Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.47Å | 1.45Å | Aromatic |
| C7 | C10 | sing | 1.47Å | 1.48Å | |
| C8 | C9 | doub | 1.41Å | 1.40Å | Aromatic |
| C10 | O11 | doub | 1.22Å | 1.21Å | |
| C10 | O12 | sing | 1.35Å | 1.33Å | |
| O12 | C13 | sing | 1.45Å | 1.45Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| N5 | H5 | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C4 | 118.8° | 119.3° |
| C1 | C2 | N3 | 123.7° | 121.5° |
| C2 | C1 | H1 | 120.6° | 120.3° |
| C1 | C2 | H2 | 118.2° | 119.2° |
| C1 | C4 | C8 | 118.5° | 118.1° |
| C4 | C1 | H1 | 120.6° | 120.3° |
| C1 | C4 | H4 | 120.7° | 121.0° |
| C2 | N3 | C9 | 117.3° | 121.7° |
| N3 | C2 | H2 | 118.1° | 119.2° |
| N3 | C9 | N5 | 127.3° | 132.9° |
| N3 | C9 | C8 | 122.8° | 119.8° |
| C4 | C8 | C7 | 135.3° | 134.4° |
| C4 | C8 | C9 | 118.9° | 119.6° |
| C8 | C4 | H4 | 120.8° | 120.9° |
| C6 | N5 | C9 | 108.0° | 110.6° |
| N5 | C6 | C7 | 110.2° | 109.7° |
| C6 | N5 | H5 | 126.0° | 124.7° |
| N5 | C6 | H6 | 124.9° | 125.2° |
| N5 | C9 | C8 | 109.8° | 107.3° |
| C9 | N5 | H5 | 126.0° | 124.7° |
| C6 | C7 | C8 | 106.2° | 106.3° |
| C6 | C7 | C10 | 129.0° | 126.8° |
| C7 | C6 | H6 | 124.9° | 125.1° |
| C8 | C7 | C10 | 124.7° | 126.8° |
| C7 | C8 | C9 | 105.7° | 106.0° |
| C7 | C10 | O11 | 124.5° | 120.0° |
| C7 | C10 | O12 | 111.7° | 120.0° |
| O11 | C10 | O12 | 123.8° | 120.0° |
| C10 | O12 | C13 | 116.4° | 117.0° |
| O12 | C13 | H131 | 109.5° | 109.5° |
| O12 | C13 | H132 | 109.4° | 109.5° |
| O12 | C13 | H133 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C4 | H1 | 180.0° | 179.6° |
| C1 | C2 | N3 | H2 | 180.0° | 179.9° |
| C1 | C2 | N3 | C9 | 0.8° | 0.0° |
| C2 | C1 | C4 | C8 | 0.3° | 0.1° |
| C2 | C1 | C4 | H4 | 179.7° | 180.0° |
| C4 | C1 | C2 | N3 | 0.3° | 0.1° |
| C1 | C4 | C8 | H4 | 180.0° | 180.0° |
| C1 | C4 | C8 | C7 | 177.6° | 180.0° |
| C1 | C4 | C8 | C9 | 0.4° | 0.0° |
| C4 | C1 | C2 | H2 | 179.6° | 180.0° |
| C2 | N3 | C9 | N5 | 178.1° | 180.0° |
| C2 | N3 | C9 | C8 | 0.6° | 0.0° |
| N3 | C2 | C1 | H1 | 179.7° | 179.7° |
| N3 | C9 | C8 | C4 | 0.0° | 0.0° |
| N3 | C9 | N5 | C6 | 177.9° | 180.0° |
| N3 | C9 | N5 | C8 | 177.8° | 180.0° |
| N3 | C9 | C8 | C7 | 178.0° | 180.0° |
| C9 | N3 | C2 | H2 | 179.2° | 179.9° |
| N3 | C9 | N5 | H5 | 2.2° | 0.1° |
| C4 | C8 | C9 | N5 | 177.9° | 180.0° |
| C4 | C8 | C7 | C6 | 177.4° | 180.0° |
| C4 | C8 | C7 | C9 | 177.4° | 180.0° |
| C4 | C8 | C7 | C10 | 0.3° | 0.0° |
| C8 | C4 | C1 | H1 | 179.7° | 179.7° |
| C6 | N5 | C9 | H5 | 180.0° | 179.9° |
| N5 | C6 | C7 | H6 | 180.0° | 180.0° |
| N5 | C6 | C7 | C8 | 0.0° | 0.0° |
| N5 | C6 | C7 | C10 | 177.6° | 180.0° |
| C6 | N5 | C9 | C8 | 0.0° | 0.0° |
| C9 | N5 | C6 | C7 | 0.0° | 0.0° |
| N5 | C9 | C8 | C7 | 0.0° | 0.0° |
| C9 | N5 | C6 | H6 | 179.9° | 180.0° |
| C6 | C7 | C8 | C10 | 177.8° | 180.0° |
| C6 | C7 | C8 | C9 | 0.0° | 0.0° |
| C6 | C7 | C10 | O11 | 179.9° | 180.0° |
| C6 | C7 | C10 | O12 | 1.3° | 0.0° |
| C7 | C6 | N5 | H5 | 180.0° | 179.9° |
| C8 | C7 | C10 | O11 | 2.9° | 0.0° |
| C8 | C7 | C10 | O12 | 176.0° | 180.0° |
| C7 | C8 | C4 | H4 | 2.4° | 0.0° |
| C8 | C7 | C6 | H6 | 179.9° | 180.0° |
| C10 | C7 | C8 | C9 | 177.8° | 180.0° |
| C7 | C10 | O11 | O12 | 178.7° | 180.0° |
| C7 | C10 | O12 | C13 | 174.0° | 180.0° |
| C10 | C7 | C6 | H6 | 2.4° | 0.0° |
| C9 | C8 | C4 | H4 | 179.5° | 180.0° |
| C8 | C9 | N5 | H5 | 180.0° | 179.9° |
| O11 | C10 | O12 | C13 | 7.2° | 0.0° |
| C10 | O12 | C13 | H131 | 180.0° | 60.0° |
| C10 | O12 | C13 | H132 | 60.0° | 60.0° |
| C10 | O12 | C13 | H133 | 60.0° | 179.9° |
| O12 | C13 | H131 | H132 | 120.0° | 120.0° |
| O12 | C13 | H131 | H133 | 120.0° | 120.0° |
| O12 | C13 | H132 | H133 | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 0.4° | 0.4° |
| H1 | C1 | C4 | H4 | 0.3° | 0.4° |
| H5 | N5 | C6 | H6 | 0.0° | 0.1° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
