986
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C10 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | O | doub | 1.21Å | 1.23Å | |
| C4 | N1 | sing | 1.35Å | 1.34Å | |
| C5 | N1 | sing | 1.40Å | 1.31Å | |
| C5 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | N2 | sing | 1.40Å | 1.33Å | |
| C2 | N2 | sing | 1.46Å | 1.48Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | C8 | 119.0° | 120.3° |
| C9 | C10 | C5 | 117.1° | 119.9° |
| C9 | C10 | H8 | 121.4° | 120.1° |
| C10 | C9 | H9 | 120.5° | 119.9° |
| C9 | C8 | C7 | 123.3° | 120.2° |
| C8 | C9 | H9 | 120.5° | 119.9° |
| C9 | C8 | H10 | 118.3° | 119.9° |
| C4 | C3 | C2 | 107.6° | 110.1° |
| C3 | C4 | O | 118.6° | 119.8° |
| C3 | C4 | N1 | 122.5° | 120.4° |
| C4 | C3 | H5 | 109.9° | 109.4° |
| C4 | C3 | H6 | 109.9° | 109.4° |
| C3 | C2 | N2 | 108.7° | 109.9° |
| C3 | C2 | C1 | 112.5° | 109.4° |
| C3 | C2 | H4 | 108.2° | 109.3° |
| C2 | C3 | H5 | 109.9° | 109.4° |
| C2 | C3 | H6 | 109.9° | 109.4° |
| C10 | C5 | N1 | 115.5° | 120.9° |
| C10 | C5 | C6 | 123.1° | 119.8° |
| C5 | C10 | H8 | 121.5° | 120.1° |
| C8 | C7 | C6 | 117.3° | 119.9° |
| C7 | C8 | H10 | 118.4° | 119.9° |
| C8 | C7 | H11 | 121.3° | 120.1° |
| O | C4 | N1 | 118.9° | 119.8° |
| C4 | N1 | C5 | 122.6° | 120.5° |
| C4 | N1 | H7 | 118.7° | 119.8° |
| N1 | C5 | C6 | 121.3° | 119.3° |
| C5 | N1 | H7 | 118.7° | 119.8° |
| C5 | C6 | C7 | 120.1° | 119.9° |
| C5 | C6 | N2 | 125.5° | 119.4° |
| C7 | C6 | N2 | 114.4° | 120.7° |
| C6 | C7 | H11 | 121.3° | 120.1° |
| C6 | N2 | C2 | 127.5° | 118.8° |
| C6 | N2 | H12 | 104.8° | 120.6° |
| N2 | C2 | C1 | 110.6° | 109.4° |
| N2 | C2 | H4 | 108.7° | 109.4° |
| C2 | N2 | H12 | 104.8° | 120.6° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 108.1° | 109.4° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H5 | C3 | H6 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C8 | H9 | 180.0° | 180.0° |
| C9 | C10 | C5 | H8 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 0.9° | 0.5° |
| C9 | C10 | C5 | N1 | 178.8° | 178.9° |
| C9 | C10 | C5 | C6 | 1.3° | 1.0° |
| C10 | C9 | C8 | H10 | 179.0° | 179.4° |
| C8 | C9 | C10 | C5 | 0.6° | 0.1° |
| C9 | C8 | C7 | H10 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 1.8° | 0.1° |
| C8 | C9 | C10 | H8 | 179.4° | 179.9° |
| C9 | C8 | C7 | H11 | 178.2° | 179.9° |
| C4 | C3 | C2 | H5 | 119.7° | 120.2° |
| C4 | C3 | C2 | H6 | 119.7° | 120.2° |
| C3 | C4 | O | N1 | 177.6° | 179.9° |
| C3 | C4 | N1 | C5 | 3.5° | 4.6° |
| C4 | C3 | C2 | N2 | 59.4° | 43.7° |
| C4 | C3 | C2 | C1 | 63.4° | 163.8° |
| C4 | C3 | C2 | H4 | 177.2° | 76.4° |
| C4 | C3 | H5 | H6 | 120.9° | 119.7° |
| C3 | C4 | N1 | H7 | 176.5° | 175.5° |
| C2 | C3 | C4 | O | 101.8° | 104.4° |
| C2 | C3 | C4 | N1 | 75.7° | 75.5° |
| C3 | C2 | N2 | C6 | 12.6° | 42.6° |
| C3 | C2 | N2 | C1 | 124.0° | 120.2° |
| C3 | C2 | N2 | H4 | 117.5° | 120.1° |
| C3 | C2 | C1 | H4 | 119.4° | 119.8° |
| C3 | C2 | C1 | H1 | 180.0° | 179.6° |
| C3 | C2 | C1 | H2 | 60.0° | 59.5° |
| C3 | C2 | C1 | H3 | 60.0° | 60.4° |
| C2 | C3 | H5 | H6 | 120.8° | 119.7° |
| C3 | C2 | N2 | H12 | 109.7° | 137.5° |
| C10 | C5 | N1 | C4 | 139.9° | 130.9° |
| C10 | C5 | N1 | C6 | 177.6° | 179.9° |
| C10 | C5 | C6 | C7 | 0.4° | 1.6° |
| C10 | C5 | C6 | N2 | 177.9° | 176.9° |
| C10 | C5 | N1 | H7 | 40.1° | 49.2° |
| C5 | C10 | C9 | H9 | 179.4° | 179.9° |
| C8 | C7 | C6 | C5 | 1.1° | 1.1° |
| C8 | C7 | C6 | H11 | 180.0° | 180.0° |
| C8 | C7 | C6 | N2 | 179.6° | 177.3° |
| C7 | C8 | C9 | H9 | 179.0° | 179.5° |
| O | C4 | N1 | C5 | 174.0° | 175.3° |
| O | C4 | C3 | H5 | 138.5° | 135.4° |
| O | C4 | C3 | H6 | 17.9° | 15.8° |
| O | C4 | N1 | H7 | 6.0° | 4.6° |
| C4 | N1 | C5 | H7 | 180.0° | 179.9° |
| C4 | N1 | C5 | C6 | 42.5° | 49.3° |
| N1 | C4 | C3 | H5 | 44.0° | 44.7° |
| N1 | C4 | C3 | H6 | 164.6° | 164.2° |
| N1 | C5 | C6 | C7 | 177.8° | 178.3° |
| N1 | C5 | C6 | N2 | 0.6° | 3.3° |
| N1 | C5 | C10 | H8 | 1.2° | 1.1° |
| C5 | C6 | C7 | N2 | 178.5° | 178.4° |
| C5 | C6 | N2 | C2 | 52.8° | 71.8° |
| C6 | C5 | N1 | H7 | 137.5° | 130.7° |
| C6 | C5 | C10 | H8 | 178.7° | 179.1° |
| C5 | C6 | C7 | H11 | 178.9° | 178.9° |
| C5 | C6 | N2 | H12 | 69.6° | 108.3° |
| C7 | C6 | N2 | C2 | 128.8° | 106.7° |
| C6 | C7 | C8 | H10 | 178.2° | 180.0° |
| C7 | C6 | N2 | H12 | 108.8° | 73.3° |
| C6 | N2 | C2 | H12 | 122.4° | 180.0° |
| C6 | N2 | C2 | C1 | 136.6° | 77.6° |
| C6 | N2 | C2 | H4 | 104.9° | 162.6° |
| N2 | C6 | C7 | H11 | 0.4° | 2.7° |
| N2 | C2 | C1 | H4 | 118.9° | 119.8° |
| N2 | C2 | C1 | H1 | 58.3° | 60.0° |
| N2 | C2 | C1 | H2 | 178.3° | 180.0° |
| N2 | C2 | C1 | H3 | 61.7° | 60.0° |
| N2 | C2 | C3 | H5 | 60.3° | 76.5° |
| N2 | C2 | C3 | H6 | 179.1° | 163.9° |
| C2 | C1 | H1 | H2 | 120.0° | 120.1° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H5 | 176.9° | 43.6° |
| C1 | C2 | C3 | H6 | 56.3° | 75.9° |
| C1 | C2 | N2 | H12 | 14.2° | 102.4° |
| H1 | C1 | H2 | H3 | 120.0° | 119.9° |
| H1 | C1 | C2 | H4 | 60.6° | 59.8° |
| H2 | C1 | C2 | H4 | 59.4° | 60.2° |
| H3 | C1 | C2 | H4 | 179.4° | 179.8° |
| H4 | C2 | C3 | H5 | 57.5° | 163.4° |
| H4 | C2 | C3 | H6 | 63.0° | 43.8° |
| H4 | C2 | N2 | H12 | 132.7° | 17.4° |
| H8 | C10 | C9 | H9 | 0.6° | 0.1° |
| H9 | C9 | C8 | H10 | 1.0° | 0.6° |
| H10 | C8 | C7 | H11 | 1.8° | 0.0° |
