J0M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | doub | 1.21Å | 1.25Å | |
| O2 | C2 | sing | 1.43Å | 1.44Å | |
| C6 | O7 | sing | 1.34Å | 1.24Å | |
| C6 | C4 | sing | 1.51Å | 1.52Å | |
| O3 | C3 | sing | 1.43Å | 1.44Å | |
| C4 | C2 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.54Å | |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | O5 | sing | 1.43Å | 1.43Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| O1 | H7 | sing | 0.97Å | 0.95Å | |
| O2 | H8 | sing | 0.97Å | 0.95Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| O4 | H10 | sing | 0.97Å | 0.95Å | |
| O5 | H11 | sing | 0.97Å | 0.95Å | |
| O7 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | O7 | 126.7° | 120.1° |
| O6 | C6 | C4 | 116.2° | 119.9° |
| O2 | C2 | C4 | 107.9° | 109.5° |
| O2 | C2 | C1 | 109.8° | 109.5° |
| O2 | C2 | H6 | 109.9° | 109.5° |
| C2 | O2 | H8 | 109.5° | 114.0° |
| O7 | C6 | C4 | 117.1° | 120.0° |
| C6 | O7 | H12 | 109.5° | 117.0° |
| C6 | C4 | C2 | 110.5° | 109.4° |
| C6 | C4 | O4 | 108.8° | 109.5° |
| C6 | C4 | H1 | 108.7° | 109.5° |
| O3 | C3 | C1 | 108.5° | 109.5° |
| O3 | C3 | C5 | 108.9° | 109.4° |
| O3 | C3 | H4 | 110.3° | 109.4° |
| C3 | O3 | H9 | 109.5° | 114.0° |
| C2 | C4 | O4 | 110.2° | 109.5° |
| C4 | C2 | C1 | 111.9° | 109.4° |
| C2 | C4 | H1 | 108.6° | 109.4° |
| C4 | C2 | H6 | 108.6° | 109.4° |
| O4 | C4 | H1 | 110.0° | 109.5° |
| C4 | O4 | H10 | 109.5° | 114.0° |
| C2 | C1 | C3 | 111.0° | 109.5° |
| C2 | C1 | O1 | 108.8° | 109.5° |
| C2 | C1 | H5 | 108.8° | 109.5° |
| C1 | C2 | H6 | 108.7° | 109.5° |
| C3 | C1 | O1 | 109.7° | 109.5° |
| C1 | C3 | C5 | 111.2° | 109.5° |
| C1 | C3 | H4 | 108.9° | 109.5° |
| C3 | C1 | H5 | 108.6° | 109.4° |
| O1 | C1 | H5 | 109.9° | 109.5° |
| C1 | O1 | H7 | 109.5° | 113.9° |
| C3 | C5 | O5 | 108.8° | 109.5° |
| C3 | C5 | H2 | 109.6° | 109.5° |
| C3 | C5 | H3 | 109.6° | 109.5° |
| C5 | C3 | H4 | 109.1° | 109.5° |
| O5 | C5 | H2 | 109.7° | 109.4° |
| O5 | C5 | H3 | 109.6° | 109.5° |
| C5 | O5 | H11 | 109.5° | 114.0° |
| H2 | C5 | H3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | O7 | C4 | 178.5° | 180.0° |
| O6 | C6 | C4 | C2 | 35.0° | 115.0° |
| O6 | C6 | C4 | O4 | 156.2° | 5.0° |
| O6 | C6 | C4 | H1 | 84.1° | 125.0° |
| O6 | C6 | O7 | H12 | 0.0° | 0.0° |
| O2 | C2 | C4 | C6 | 61.8° | 55.0° |
| O2 | C2 | C4 | C1 | 120.9° | 120.0° |
| O2 | C2 | C4 | H6 | 119.1° | 120.0° |
| O2 | C2 | C4 | O4 | 177.8° | 65.0° |
| O2 | C2 | C1 | H6 | 120.3° | 120.0° |
| O2 | C2 | C1 | C3 | 59.8° | 60.0° |
| O2 | C2 | C1 | O1 | 179.4° | 180.0° |
| O2 | C2 | C4 | H1 | 57.3° | 175.0° |
| O2 | C2 | C1 | H5 | 59.6° | 60.0° |
| O7 | C6 | C4 | C2 | 146.3° | 65.0° |
| O7 | C6 | C4 | O4 | 25.1° | 175.0° |
| O7 | C6 | C4 | H1 | 94.6° | 55.0° |
| C6 | C4 | C2 | O4 | 120.3° | 120.0° |
| C6 | C4 | C2 | H1 | 119.2° | 120.0° |
| C6 | C4 | O4 | H1 | 119.0° | 120.0° |
| C6 | C4 | C2 | C1 | 59.1° | 175.0° |
| C6 | C4 | C2 | H6 | 179.0° | 65.0° |
| C6 | C4 | O4 | H10 | 180.0° | 60.0° |
| C4 | C6 | O7 | H12 | 178.6° | 180.0° |
| O3 | C3 | C1 | C2 | 60.5° | 55.0° |
| O3 | C3 | C1 | C5 | 119.8° | 120.0° |
| O3 | C3 | C1 | H4 | 120.1° | 120.0° |
| O3 | C3 | C1 | O1 | 179.2° | 65.0° |
| O3 | C3 | C5 | H4 | 120.4° | 119.9° |
| O3 | C3 | C5 | O5 | 179.5° | 65.0° |
| O3 | C3 | C5 | H2 | 59.6° | 175.1° |
| O3 | C3 | C5 | H3 | 60.6° | 55.1° |
| O3 | C3 | C1 | H5 | 59.0° | 175.0° |
| C2 | C4 | O4 | H1 | 119.7° | 120.0° |
| C4 | C2 | C1 | H6 | 120.0° | 120.0° |
| C4 | C2 | C1 | C3 | 179.6° | 180.0° |
| C4 | C2 | C1 | O1 | 59.6° | 60.0° |
| C4 | C2 | C1 | H5 | 60.1° | 60.0° |
| C4 | C2 | O2 | H8 | 42.7° | 60.0° |
| C2 | C4 | O4 | H10 | 58.6° | 60.0° |
| O4 | C4 | C2 | C1 | 61.3° | 55.0° |
| O4 | C4 | C2 | H6 | 58.7° | 175.0° |
| C2 | C1 | C3 | O1 | 120.3° | 120.0° |
| C2 | C1 | C3 | H5 | 119.5° | 120.0° |
| C2 | C1 | O1 | H5 | 119.0° | 120.1° |
| C2 | C1 | C3 | C5 | 59.3° | 175.0° |
| C1 | C2 | C4 | H1 | 178.2° | 65.0° |
| C2 | C1 | C3 | H4 | 179.4° | 65.0° |
| C2 | C1 | O1 | H7 | 180.0° | 60.0° |
| C1 | C2 | O2 | H8 | 79.5° | 60.0° |
| C3 | C1 | O1 | H5 | 119.4° | 119.9° |
| C1 | C3 | C5 | H4 | 120.1° | 120.0° |
| C1 | C3 | C5 | O5 | 60.0° | 175.0° |
| C1 | C3 | C5 | H2 | 59.9° | 55.0° |
| C1 | C3 | C5 | H3 | 179.9° | 65.0° |
| C3 | C1 | C2 | H6 | 60.5° | 60.0° |
| C3 | C1 | O1 | H7 | 58.4° | 60.0° |
| C1 | C3 | O3 | H9 | 180.0° | 60.0° |
| O1 | C1 | C3 | C5 | 61.0° | 55.0° |
| O1 | C1 | C3 | H4 | 59.1° | 175.0° |
| O1 | C1 | C2 | H6 | 60.4° | 60.0° |
| C3 | C5 | O5 | H2 | 119.9° | 120.0° |
| C3 | C5 | O5 | H3 | 119.9° | 120.1° |
| C3 | C5 | H2 | H3 | 120.3° | 120.1° |
| C5 | C3 | C1 | H5 | 178.8° | 65.0° |
| C5 | C3 | O3 | H9 | 58.8° | 60.1° |
| C3 | C5 | O5 | H11 | 180.0° | 180.0° |
| O5 | C5 | H2 | H3 | 120.3° | 119.9° |
| O5 | C5 | C3 | H4 | 60.1° | 54.9° |
| H1 | C4 | C2 | H6 | 61.8° | 55.0° |
| H1 | C4 | O4 | H10 | 61.0° | 180.0° |
| H2 | C5 | C3 | H4 | 180.0° | 65.0° |
| H2 | C5 | O5 | H11 | 60.1° | 60.0° |
| H3 | C5 | C3 | H4 | 59.8° | 175.0° |
| H3 | C5 | O5 | H11 | 60.1° | 59.9° |
| H4 | C3 | C1 | H5 | 61.1° | 55.0° |
| H4 | C3 | O3 | H9 | 60.8° | 180.0° |
| H5 | C1 | C2 | H6 | 179.9° | 180.0° |
| H5 | C1 | O1 | H7 | 61.0° | 179.9° |
| H6 | C2 | O2 | H8 | 161.0° | 179.9° |
