8EU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | N1 | sing | 1.22Å | 1.24Å | |
| C2 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C1 | sing | 1.48Å | 1.42Å | |
| N1 | O1 | doub | 1.22Å | 1.21Å | |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| O3 | P1 | doub | 1.48Å | 1.50Å | |
| C4 | C7 | sing | 1.51Å | 1.53Å | |
| C4 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| P1 | O4 | sing | 1.61Å | 1.50Å | |
| P1 | O5 | sing | 1.61Å | 1.64Å | |
| P1 | C8 | sing | 1.82Å | 1.83Å | |
| C7 | O5 | sing | 1.43Å | 1.45Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| O4 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | N1 | C1 | 123.4° | 120.0° |
| O2 | N1 | O1 | 118.4° | 120.0° |
| C3 | C2 | C1 | 120.7° | 120.0° |
| C2 | C3 | C4 | 121.7° | 120.0° |
| C2 | C3 | H3 | 119.1° | 120.0° |
| C3 | C2 | H4 | 119.6° | 120.0° |
| C2 | C1 | N1 | 119.6° | 120.0° |
| C2 | C1 | C6 | 118.4° | 120.0° |
| C1 | C2 | H4 | 119.6° | 120.0° |
| C1 | N1 | O1 | 118.2° | 120.0° |
| N1 | C1 | C6 | 122.0° | 120.0° |
| C3 | C4 | C7 | 119.4° | 120.0° |
| C3 | C4 | C5 | 117.7° | 120.0° |
| C4 | C3 | H3 | 119.1° | 120.0° |
| C1 | C6 | C5 | 119.9° | 120.0° |
| C1 | C6 | H2 | 120.0° | 120.0° |
| O3 | P1 | O4 | 120.3° | 109.4° |
| O3 | P1 | O5 | 109.7° | 109.5° |
| O3 | P1 | C8 | 105.8° | 109.4° |
| C7 | C4 | C5 | 122.8° | 120.0° |
| C4 | C7 | O5 | 110.1° | 109.5° |
| C4 | C7 | H5 | 109.3° | 109.5° |
| C4 | C7 | H6 | 109.3° | 109.5° |
| C4 | C5 | C6 | 121.4° | 120.0° |
| C4 | C5 | H1 | 119.3° | 120.0° |
| C6 | C5 | H1 | 119.3° | 120.0° |
| C5 | C6 | H2 | 120.1° | 120.0° |
| O4 | P1 | O5 | 111.9° | 109.5° |
| O4 | P1 | C8 | 103.7° | 109.5° |
| P1 | O4 | H12 | 109.5° | 114.0° |
| O5 | P1 | C8 | 103.9° | 109.5° |
| P1 | O5 | C7 | 124.3° | 123.0° |
| P1 | C8 | C9 | 113.2° | 109.5° |
| P1 | C8 | H7 | 108.6° | 109.5° |
| P1 | C8 | H8 | 108.5° | 109.5° |
| O5 | C7 | H5 | 109.3° | 109.5° |
| O5 | C7 | H6 | 109.3° | 109.4° |
| C9 | C8 | H7 | 108.5° | 109.4° |
| C9 | C8 | H8 | 108.6° | 109.5° |
| C8 | C9 | H9 | 109.5° | 109.4° |
| C8 | C9 | H10 | 109.5° | 109.5° |
| C8 | C9 | H11 | 109.5° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.4° |
| H7 | C8 | H8 | 109.4° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| H9 | C9 | H11 | 109.5° | 109.4° |
| H10 | C9 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | N1 | C1 | C2 | 1.9° | 180.0° |
| O2 | N1 | C1 | O1 | 178.2° | 180.0° |
| O2 | N1 | C1 | C6 | 178.0° | 0.2° |
| C3 | C2 | C1 | H4 | 180.0° | 179.7° |
| C3 | C2 | C1 | N1 | 178.9° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 1.2° | 0.2° |
| C2 | C3 | C4 | C7 | 179.5° | 180.0° |
| C2 | C3 | C4 | C5 | 0.5° | 0.0° |
| C2 | C1 | N1 | C6 | 179.9° | 179.8° |
| C2 | C1 | N1 | O1 | 179.9° | 0.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.2° |
| C2 | C1 | C6 | C5 | 2.1° | 0.0° |
| C2 | C1 | C6 | H2 | 177.9° | 180.0° |
| C1 | C2 | C3 | H3 | 180.0° | 179.7° |
| N1 | C1 | C6 | C5 | 178.0° | 179.8° |
| N1 | C1 | C6 | H2 | 2.0° | 0.2° |
| N1 | C1 | C2 | H4 | 1.1° | 0.3° |
| O1 | N1 | C1 | C6 | 0.2° | 179.8° |
| C3 | C4 | C7 | C5 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.4° | 0.2° |
| C3 | C4 | C7 | O5 | 66.1° | 90.1° |
| C3 | C4 | C5 | H1 | 179.6° | 180.0° |
| C4 | C3 | C2 | H4 | 179.9° | 180.0° |
| C3 | C4 | C7 | H5 | 173.8° | 30.0° |
| C3 | C4 | C7 | H6 | 54.0° | 150.0° |
| C1 | C6 | C5 | C4 | 1.7° | 0.2° |
| C1 | C6 | C5 | H2 | 180.0° | 179.9° |
| C1 | C6 | C5 | H1 | 178.3° | 180.0° |
| C6 | C1 | C2 | H4 | 178.8° | 179.9° |
| O3 | P1 | O4 | O5 | 130.9° | 120.0° |
| O3 | P1 | O4 | C8 | 117.8° | 119.9° |
| O3 | P1 | O5 | C8 | 112.7° | 120.0° |
| O3 | P1 | O5 | C7 | 32.2° | 55.0° |
| O3 | P1 | C8 | C9 | 18.5° | 55.0° |
| O3 | P1 | C8 | H7 | 102.1° | 65.0° |
| O3 | P1 | C8 | H8 | 139.1° | 175.0° |
| O3 | P1 | O4 | H12 | 0.0° | 180.0° |
| C7 | C4 | C5 | C6 | 179.6° | 179.7° |
| C4 | C7 | O5 | P1 | 141.8° | 180.0° |
| C4 | C7 | O5 | H5 | 120.1° | 120.1° |
| C4 | C7 | O5 | H6 | 120.1° | 120.0° |
| C7 | C4 | C5 | H1 | 0.4° | 0.1° |
| C7 | C4 | C3 | H3 | 0.4° | 0.0° |
| C4 | C7 | H5 | H6 | 119.7° | 120.0° |
| C4 | C5 | C6 | H1 | 180.0° | 179.8° |
| C5 | C4 | C7 | O5 | 113.9° | 90.0° |
| C4 | C5 | C6 | H2 | 178.3° | 179.8° |
| C5 | C4 | C3 | H3 | 179.5° | 179.9° |
| C5 | C4 | C7 | H5 | 6.2° | 149.9° |
| C5 | C4 | C7 | H6 | 126.0° | 29.9° |
| O4 | P1 | O5 | C8 | 111.2° | 120.0° |
| O4 | P1 | O5 | C7 | 168.3° | 65.0° |
| O4 | P1 | C8 | C9 | 146.0° | 65.0° |
| O4 | P1 | C8 | H7 | 25.4° | 175.0° |
| O4 | P1 | C8 | H8 | 93.5° | 55.1° |
| O5 | P1 | C8 | C9 | 96.9° | 175.0° |
| P1 | O5 | C7 | H5 | 98.1° | 59.9° |
| P1 | O5 | C7 | H6 | 21.7° | 60.0° |
| O5 | P1 | C8 | H7 | 142.5° | 55.0° |
| O5 | P1 | C8 | H8 | 23.6° | 65.0° |
| O5 | P1 | O4 | H12 | 130.9° | 59.9° |
| C8 | P1 | O5 | C7 | 80.5° | 175.0° |
| P1 | C8 | C9 | H7 | 120.6° | 120.0° |
| P1 | C8 | C9 | H8 | 120.5° | 120.0° |
| P1 | C8 | H7 | H8 | 118.3° | 120.0° |
| P1 | C8 | C9 | H9 | 180.0° | 60.0° |
| P1 | C8 | C9 | H10 | 60.0° | 180.0° |
| P1 | C8 | C9 | H11 | 60.0° | 60.0° |
| C8 | P1 | O4 | H12 | 117.8° | 60.1° |
| O5 | C7 | H5 | H6 | 119.7° | 120.0° |
| C9 | C8 | H7 | H8 | 118.3° | 120.0° |
| C8 | C9 | H9 | H10 | 120.0° | 120.0° |
| C8 | C9 | H9 | H11 | 120.0° | 120.0° |
| C8 | C9 | H10 | H11 | 120.0° | 120.0° |
| H1 | C5 | C6 | H2 | 1.7° | 0.0° |
| H3 | C3 | C2 | H4 | 0.0° | 0.0° |
| H7 | C8 | C9 | H9 | 59.4° | 180.0° |
| H7 | C8 | C9 | H10 | 179.4° | 60.0° |
| H7 | C8 | C9 | H11 | 60.6° | 60.0° |
| H8 | C8 | C9 | H9 | 59.5° | 60.1° |
| H8 | C8 | C9 | H10 | 60.5° | 59.9° |
| H8 | C8 | C9 | H11 | 179.5° | 180.0° |
| H9 | C9 | H10 | H11 | 120.0° | 120.0° |
