71J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C5 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C5 | C | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | O1 | sing | 1.43Å | 1.44Å | |
| O | H1 | sing | 0.97Å | 0.95Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| O1 | H7 | sing | 0.97Å | 0.95Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C5 | C4 | 107.7° | 109.5° |
| O | C5 | C | 108.0° | 109.4° |
| C5 | O | H1 | 109.5° | 114.0° |
| O | C5 | H12 | 109.5° | 109.5° |
| C5 | C4 | C3 | 114.9° | 109.5° |
| C4 | C5 | C | 115.2° | 109.5° |
| C5 | C4 | H10 | 108.1° | 109.5° |
| C5 | C4 | H11 | 108.1° | 109.5° |
| C4 | C5 | H12 | 108.2° | 109.5° |
| C4 | C3 | C2 | 112.3° | 109.4° |
| C4 | C3 | H8 | 108.8° | 109.5° |
| C4 | C3 | H9 | 108.8° | 109.4° |
| C3 | C4 | H10 | 108.1° | 109.5° |
| C3 | C4 | H11 | 108.1° | 109.5° |
| C5 | C | C1 | 114.4° | 109.4° |
| C5 | C | H4 | 108.2° | 109.5° |
| C5 | C | H5 | 108.2° | 109.5° |
| C | C5 | H12 | 108.2° | 109.5° |
| C3 | C2 | C1 | 107.1° | 109.5° |
| C3 | C2 | O1 | 111.1° | 109.4° |
| C3 | C2 | H6 | 108.4° | 109.5° |
| C2 | C3 | H8 | 108.8° | 109.5° |
| C2 | C3 | H9 | 108.8° | 109.5° |
| C | C1 | C2 | 110.4° | 109.5° |
| C | C1 | H2 | 109.2° | 109.5° |
| C | C1 | H3 | 109.2° | 109.5° |
| C1 | C | H4 | 108.2° | 109.5° |
| C1 | C | H5 | 108.2° | 109.4° |
| C1 | C2 | O1 | 112.1° | 109.5° |
| C2 | C1 | H2 | 109.3° | 109.5° |
| C2 | C1 | H3 | 109.2° | 109.5° |
| C1 | C2 | H6 | 108.4° | 109.5° |
| O1 | C2 | H6 | 109.6° | 109.5° |
| C2 | O1 | H7 | 109.5° | 114.0° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C | H5 | 109.4° | 109.6° |
| H8 | C3 | H9 | 109.5° | 109.6° |
| H10 | C4 | H11 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C5 | C4 | C | 120.5° | 120.0° |
| O | C5 | C4 | H12 | 118.3° | 120.0° |
| O | C5 | C4 | C3 | 154.4° | 180.0° |
| O | C5 | C | H12 | 118.5° | 120.0° |
| O | C5 | C | C1 | 157.3° | 180.0° |
| O | C5 | C | H4 | 36.5° | 60.0° |
| O | C5 | C | H5 | 82.0° | 60.1° |
| O | C5 | C4 | H10 | 84.8° | 60.0° |
| O | C5 | C4 | H11 | 33.6° | 59.9° |
| C5 | C4 | C3 | H10 | 120.8° | 120.0° |
| C5 | C4 | C3 | H11 | 120.8° | 120.0° |
| C4 | C5 | C | H12 | 121.2° | 120.0° |
| C5 | C4 | C3 | C2 | 47.4° | 60.0° |
| C4 | C5 | C | C1 | 36.9° | 60.0° |
| C4 | C5 | O | H1 | 180.0° | 180.0° |
| C4 | C5 | C | H4 | 83.8° | 180.0° |
| C4 | C5 | C | H5 | 157.7° | 59.9° |
| C5 | C4 | C3 | H8 | 73.0° | 180.0° |
| C5 | C4 | C3 | H9 | 167.8° | 59.9° |
| C5 | C4 | H10 | H11 | 117.5° | 120.0° |
| C3 | C4 | C5 | C | 33.9° | 60.0° |
| C4 | C3 | C2 | H8 | 120.4° | 120.0° |
| C4 | C3 | C2 | H9 | 120.4° | 119.9° |
| C4 | C3 | C2 | C1 | 62.1° | 60.0° |
| C4 | C3 | C2 | O1 | 175.1° | 180.0° |
| C4 | C3 | C2 | H6 | 54.7° | 60.0° |
| C4 | C3 | H8 | H9 | 118.7° | 120.0° |
| C3 | C4 | H10 | H11 | 117.5° | 120.0° |
| C3 | C4 | C5 | H12 | 87.3° | 60.0° |
| C5 | C | C1 | H4 | 120.8° | 120.0° |
| C5 | C | C1 | H5 | 120.7° | 119.9° |
| C5 | C | C1 | C2 | 53.0° | 60.0° |
| C | C5 | O | H1 | 55.0° | 60.0° |
| C5 | C | C1 | H2 | 173.2° | 180.0° |
| C5 | C | C1 | H3 | 67.1° | 60.0° |
| C5 | C | H4 | H5 | 117.7° | 120.0° |
| C | C5 | C4 | H10 | 154.7° | 60.0° |
| C | C5 | C4 | H11 | 86.9° | 179.9° |
| C3 | C2 | C1 | C | 64.5° | 60.0° |
| C3 | C2 | C1 | O1 | 122.2° | 120.0° |
| C3 | C2 | C1 | H6 | 116.8° | 120.0° |
| C3 | C2 | O1 | H6 | 119.8° | 120.0° |
| C3 | C2 | C1 | H2 | 175.3° | 179.9° |
| C3 | C2 | C1 | H3 | 55.6° | 60.0° |
| C3 | C2 | O1 | H7 | 180.0° | 60.0° |
| C2 | C3 | H8 | H9 | 118.7° | 120.0° |
| C2 | C3 | C4 | H10 | 168.2° | 60.0° |
| C2 | C3 | C4 | H11 | 73.4° | 180.0° |
| C | C1 | C2 | H2 | 120.1° | 120.0° |
| C | C1 | C2 | H3 | 120.1° | 120.0° |
| C | C1 | C2 | O1 | 173.3° | 180.0° |
| C | C1 | H2 | H3 | 119.6° | 120.0° |
| C1 | C | H4 | H5 | 117.8° | 120.0° |
| C | C1 | C2 | H6 | 52.2° | 60.0° |
| C1 | C | C5 | H12 | 84.2° | 60.0° |
| C1 | C2 | O1 | H6 | 120.4° | 120.0° |
| C2 | C1 | H2 | H3 | 119.6° | 119.9° |
| C2 | C1 | C | H4 | 67.8° | 180.0° |
| C2 | C1 | C | H5 | 173.7° | 59.9° |
| C1 | C2 | O1 | H7 | 60.2° | 180.0° |
| C1 | C2 | C3 | H8 | 58.3° | 180.0° |
| C1 | C2 | C3 | H9 | 177.5° | 59.9° |
| O1 | C2 | C1 | H2 | 53.2° | 59.9° |
| O1 | C2 | C1 | H3 | 66.6° | 60.0° |
| O1 | C2 | C3 | H8 | 64.5° | 60.0° |
| O1 | C2 | C3 | H9 | 54.7° | 60.1° |
| H1 | O | C5 | H12 | 62.5° | 60.0° |
| H2 | C1 | C | H4 | 52.4° | 60.0° |
| H2 | C1 | C | H5 | 66.1° | 60.1° |
| H2 | C1 | C2 | H6 | 67.9° | 60.1° |
| H3 | C1 | C | H4 | 172.1° | 60.0° |
| H3 | C1 | C | H5 | 53.6° | 179.9° |
| H3 | C1 | C2 | H6 | 172.3° | 180.0° |
| H4 | C | C5 | H12 | 155.0° | 60.0° |
| H5 | C | C5 | H12 | 36.5° | 179.9° |
| H6 | C2 | O1 | H7 | 60.2° | 60.0° |
| H6 | C2 | C3 | H8 | 175.1° | 60.0° |
| H6 | C2 | C3 | H9 | 65.7° | 179.9° |
| H8 | C3 | C4 | H10 | 47.8° | 60.0° |
| H8 | C3 | C4 | H11 | 166.2° | 60.0° |
| H9 | C3 | C4 | H10 | 71.4° | 179.9° |
| H9 | C3 | C4 | H11 | 47.0° | 60.1° |
| H10 | C4 | C5 | H12 | 33.5° | 180.0° |
| H11 | C4 | C5 | H12 | 151.9° | 60.1° |
