0OY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | N | sing | 1.47Å | 1.46Å | |
| C9 | O3 | sing | 1.43Å | 1.39Å | |
| O1 | C1 | doub | 1.22Å | 1.26Å | |
| O3 | C10 | sing | 1.43Å | 1.43Å | |
| N | C1 | sing | 1.35Å | 1.34Å | |
| N | C11 | sing | 1.47Å | 1.48Å | |
| C1 | C2 | sing | 1.48Å | 1.49Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C2 | C7 | doub | 1.40Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.42Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | O2 | sing | 1.36Å | 1.35Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| O2 | H11 | sing | 0.97Å | 0.95Å | |
| C4 | H12 | sing | 1.08Å | 1.08Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | N | 113.3° | 108.6° |
| C8 | C9 | O3 | 104.3° | 109.3° |
| C8 | C9 | H5 | 110.7° | 109.6° |
| C8 | C9 | H6 | 110.7° | 109.4° |
| C9 | C8 | H7 | 108.5° | 109.7° |
| C9 | C8 | H8 | 108.5° | 109.7° |
| C8 | N | C1 | 122.9° | 120.9° |
| C8 | N | C11 | 111.2° | 118.1° |
| N | C8 | H7 | 108.5° | 109.8° |
| N | C8 | H8 | 108.5° | 109.4° |
| C9 | O3 | C10 | 108.4° | 114.1° |
| O3 | C9 | H5 | 110.7° | 109.5° |
| O3 | C9 | H6 | 110.8° | 109.5° |
| O1 | C1 | N | 124.8° | 120.0° |
| O1 | C1 | C2 | 116.3° | 120.0° |
| O3 | C10 | C11 | 110.4° | 109.2° |
| O3 | C10 | H3 | 109.2° | 109.5° |
| O3 | C10 | H4 | 109.2° | 109.6° |
| C1 | N | C11 | 125.7° | 121.0° |
| N | C1 | C2 | 118.8° | 120.0° |
| N | C11 | C10 | 106.3° | 108.4° |
| N | C11 | H1 | 110.3° | 109.7° |
| N | C11 | H2 | 110.3° | 109.7° |
| C1 | C2 | C7 | 123.9° | 120.1° |
| C1 | C2 | C3 | 118.0° | 120.1° |
| C10 | C11 | H1 | 110.3° | 109.7° |
| C10 | C11 | H2 | 110.2° | 109.7° |
| C11 | C10 | H3 | 109.2° | 109.5° |
| C11 | C10 | H4 | 109.2° | 109.5° |
| C7 | C2 | C3 | 118.1° | 119.8° |
| C2 | C7 | C6 | 121.0° | 119.9° |
| C2 | C7 | H9 | 119.5° | 120.0° |
| C2 | C3 | C4 | 122.9° | 119.9° |
| C2 | C3 | H13 | 118.5° | 120.0° |
| C7 | C6 | C5 | 120.3° | 120.1° |
| C6 | C7 | H9 | 119.5° | 120.1° |
| C7 | C6 | H10 | 119.9° | 119.9° |
| C3 | C4 | C5 | 119.6° | 120.1° |
| C3 | C4 | H12 | 120.2° | 119.9° |
| C4 | C3 | H13 | 118.6° | 120.1° |
| C6 | C5 | C4 | 118.0° | 120.1° |
| C6 | C5 | O2 | 124.8° | 119.9° |
| C5 | C6 | H10 | 119.9° | 119.9° |
| C4 | C5 | O2 | 117.2° | 119.9° |
| C5 | C4 | H12 | 120.2° | 119.9° |
| C5 | O2 | H11 | 109.5° | 114.1° |
| H1 | C11 | H2 | 109.5° | 109.7° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H5 | C9 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | N | H7 | 120.6° | 119.9° |
| C9 | C8 | N | H8 | 120.5° | 119.7° |
| C8 | C9 | O3 | H5 | 119.2° | 120.1° |
| C8 | C9 | O3 | H6 | 119.2° | 119.9° |
| C8 | C9 | O3 | C10 | 66.6° | 62.5° |
| C9 | C8 | N | C1 | 130.9° | 129.5° |
| C9 | C8 | N | C11 | 54.2° | 50.2° |
| C8 | C9 | H5 | H6 | 122.4° | 120.0° |
| C9 | C8 | H7 | H8 | 118.3° | 120.5° |
| N | C8 | C9 | O3 | 60.0° | 52.1° |
| C8 | N | C1 | O1 | 7.6° | 176.5° |
| C8 | N | C1 | C11 | 174.1° | 179.7° |
| C8 | N | C1 | C2 | 171.5° | 3.8° |
| C8 | N | C11 | C10 | 51.2° | 50.3° |
| C8 | N | C11 | H1 | 170.7° | 69.4° |
| C8 | N | C11 | H2 | 68.3° | 170.0° |
| N | C8 | C9 | H5 | 179.2° | 172.1° |
| N | C8 | C9 | H6 | 59.2° | 67.9° |
| N | C8 | H7 | H8 | 118.3° | 120.2° |
| C9 | O3 | C10 | C11 | 71.5° | 62.6° |
| C9 | O3 | C10 | H3 | 168.3° | 177.5° |
| C9 | O3 | C10 | H4 | 48.6° | 57.3° |
| O3 | C9 | H5 | H6 | 122.4° | 120.1° |
| O3 | C9 | C8 | H7 | 179.4° | 172.0° |
| O3 | C9 | C8 | H8 | 60.5° | 67.4° |
| O1 | C1 | N | C2 | 179.1° | 179.7° |
| O1 | C1 | N | C11 | 178.3° | 3.8° |
| O1 | C1 | C2 | C7 | 121.8° | 48.2° |
| O1 | C1 | C2 | C3 | 56.1° | 131.5° |
| O3 | C10 | C11 | N | 59.9° | 52.3° |
| O3 | C10 | C11 | H3 | 120.2° | 119.9° |
| O3 | C10 | C11 | H4 | 120.1° | 120.0° |
| O3 | C10 | C11 | H1 | 179.5° | 67.4° |
| O3 | C10 | C11 | H2 | 59.6° | 172.0° |
| O3 | C10 | H3 | H4 | 119.5° | 120.2° |
| C10 | O3 | C9 | H5 | 174.2° | 177.4° |
| C10 | O3 | C9 | H6 | 52.5° | 57.4° |
| C1 | N | C11 | C10 | 134.1° | 129.4° |
| N | C1 | C2 | C7 | 57.3° | 131.5° |
| N | C1 | C2 | C3 | 124.8° | 48.8° |
| C1 | N | C11 | H1 | 14.5° | 110.8° |
| C1 | N | C11 | H2 | 106.4° | 9.8° |
| C1 | N | C8 | H7 | 10.3° | 9.6° |
| C1 | N | C8 | H8 | 108.6° | 110.8° |
| C11 | N | C1 | C2 | 2.6° | 175.9° |
| N | C11 | C10 | H1 | 119.5° | 119.8° |
| N | C11 | C10 | H2 | 119.5° | 119.7° |
| N | C11 | H1 | H2 | 121.5° | 120.6° |
| N | C11 | C10 | H3 | 179.9° | 172.2° |
| N | C11 | C10 | H4 | 60.2° | 67.7° |
| C11 | N | C8 | H7 | 174.8° | 170.2° |
| C11 | N | C8 | H8 | 66.3° | 69.4° |
| C1 | C2 | C7 | C3 | 177.9° | 179.7° |
| C1 | C2 | C7 | C6 | 179.6° | 180.0° |
| C1 | C2 | C3 | C4 | 179.2° | 179.8° |
| C1 | C2 | C7 | H9 | 0.4° | 0.1° |
| C1 | C2 | C3 | H13 | 0.8° | 0.0° |
| C10 | C11 | H1 | H2 | 121.4° | 120.5° |
| C11 | C10 | H3 | H4 | 119.6° | 120.1° |
| C2 | C7 | C6 | H9 | 180.0° | 179.9° |
| C7 | C2 | C3 | C4 | 2.8° | 0.5° |
| C2 | C7 | C6 | C5 | 0.0° | 0.0° |
| C2 | C7 | C6 | H10 | 180.0° | 180.0° |
| C7 | C2 | C3 | H13 | 177.2° | 179.7° |
| C3 | C2 | C7 | C6 | 1.7° | 0.3° |
| C2 | C3 | C4 | H13 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 2.0° | 0.5° |
| C3 | C2 | C7 | H9 | 178.3° | 179.8° |
| C2 | C3 | C4 | H12 | 178.0° | 179.7° |
| C7 | C6 | C5 | H10 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.8° | 0.1° |
| C7 | C6 | C5 | O2 | 177.2° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.2° |
| C3 | C4 | C5 | H12 | 180.0° | 179.8° |
| C3 | C4 | C5 | O2 | 178.3° | 179.7° |
| C6 | C5 | C4 | O2 | 178.2° | 179.9° |
| C5 | C6 | C7 | H9 | 180.0° | 179.9° |
| C6 | C5 | O2 | H11 | 180.0° | 90.0° |
| C6 | C5 | C4 | H12 | 179.9° | 180.0° |
| C4 | C5 | C6 | H10 | 179.2° | 180.0° |
| C4 | C5 | O2 | H11 | 1.9° | 89.9° |
| C5 | C4 | C3 | H13 | 178.0° | 179.8° |
| O2 | C5 | C6 | H10 | 2.7° | 0.1° |
| O2 | C5 | C4 | H12 | 1.7° | 0.1° |
| H1 | C11 | C10 | H3 | 60.4° | 52.5° |
| H1 | C11 | C10 | H4 | 59.3° | 172.6° |
| H2 | C11 | C10 | H3 | 60.6° | 68.1° |
| H2 | C11 | C10 | H4 | 179.7° | 52.0° |
| H5 | C9 | C8 | H7 | 60.2° | 67.9° |
| H5 | C9 | C8 | H8 | 58.7° | 52.6° |
| H6 | C9 | C8 | H7 | 61.4° | 52.1° |
| H6 | C9 | C8 | H8 | 179.7° | 172.6° |
| H9 | C7 | C6 | H10 | 0.0° | 0.1° |
| H12 | C4 | C3 | H13 | 2.0° | 0.0° |
