HJ7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O05 | C03 | doub | 1.21Å | 1.26Å | |
| O04 | C03 | sing | 1.35Å | 1.27Å | |
| C03 | C02 | sing | 1.49Å | 1.54Å | |
| C02 | C06 | sing | 1.47Å | 1.56Å | |
| C02 | O01 | doub | 1.21Å | 1.20Å | |
| C06 | C07 | doub | 1.35Å | 1.34Å | |
| C07 | C11 | sing | 1.51Å | 1.55Å | |
| C07 | C08 | sing | 1.47Å | 1.53Å | |
| C11 | C12 | sing | 1.51Å | 1.55Å | |
| O10 | C08 | doub | 1.21Å | 1.27Å | |
| C08 | O09 | sing | 1.35Å | 1.27Å | |
| O14 | C12 | doub | 1.21Å | 1.30Å | |
| C12 | O13 | sing | 1.34Å | 1.26Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| O04 | H1 | sing | 0.97Å | 0.95Å | |
| O09 | H2 | sing | 0.97Å | 0.95Å | |
| O13 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O05 | C03 | O04 | 120.7° | 120.0° |
| O05 | C03 | C02 | 118.3° | 120.0° |
| O04 | C03 | C02 | 121.0° | 120.0° |
| C03 | O04 | H1 | 109.5° | 117.0° |
| C03 | C02 | C06 | 117.4° | 120.0° |
| C03 | C02 | O01 | 115.7° | 120.0° |
| C06 | C02 | O01 | 126.8° | 120.0° |
| C02 | C06 | C07 | 128.1° | 120.0° |
| C02 | C06 | H061 | 115.9° | 120.0° |
| C06 | C07 | C11 | 118.6° | 120.0° |
| C06 | C07 | C08 | 122.5° | 120.0° |
| C07 | C06 | H061 | 115.9° | 120.0° |
| C11 | C07 | C08 | 118.8° | 120.0° |
| C07 | C11 | C12 | 114.6° | 109.5° |
| C07 | C11 | H112 | 108.1° | 109.4° |
| C07 | C11 | H111 | 108.2° | 109.4° |
| C07 | C08 | O10 | 124.2° | 120.0° |
| C07 | C08 | O09 | 115.6° | 120.1° |
| C11 | C12 | O14 | 124.7° | 120.0° |
| C11 | C12 | O13 | 117.5° | 120.0° |
| C12 | C11 | H112 | 108.2° | 109.4° |
| C12 | C11 | H111 | 108.2° | 109.5° |
| O10 | C08 | O09 | 120.2° | 120.0° |
| C08 | O09 | H2 | 109.5° | 117.0° |
| O14 | C12 | O13 | 117.8° | 120.0° |
| C12 | O13 | H3 | 109.5° | 117.0° |
| H112 | C11 | H111 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O05 | C03 | O04 | C02 | 179.2° | 179.9° |
| O05 | C03 | C02 | C06 | 162.0° | 0.0° |
| O05 | C03 | C02 | O01 | 13.6° | 179.7° |
| O05 | C03 | O04 | H1 | 0.0° | 0.1° |
| O04 | C03 | C02 | C06 | 17.2° | 179.9° |
| O04 | C03 | C02 | O01 | 167.1° | 0.2° |
| C03 | C02 | C06 | O01 | 175.1° | 179.7° |
| C03 | C02 | C06 | C07 | 164.9° | 173.1° |
| C03 | C02 | C06 | H061 | 15.1° | 6.9° |
| C02 | C03 | O04 | H1 | 179.3° | 180.0° |
| C02 | C06 | C07 | H061 | 180.0° | 180.0° |
| C02 | C06 | C07 | C11 | 177.5° | 174.6° |
| C02 | C06 | C07 | C08 | 6.6° | 5.3° |
| O01 | C02 | C06 | C07 | 10.1° | 7.1° |
| O01 | C02 | C06 | H061 | 169.9° | 172.8° |
| C06 | C07 | C11 | C08 | 176.1° | 179.9° |
| C06 | C07 | C11 | C12 | 178.1° | 95.0° |
| C06 | C07 | C08 | O10 | 100.2° | 54.7° |
| C06 | C07 | C08 | O09 | 82.1° | 125.4° |
| C06 | C07 | C11 | H112 | 61.1° | 145.1° |
| C06 | C07 | C11 | H111 | 57.4° | 25.0° |
| C07 | C11 | C12 | H112 | 120.7° | 119.9° |
| C07 | C11 | C12 | H111 | 120.7° | 120.0° |
| C11 | C07 | C08 | O10 | 83.8° | 125.3° |
| C11 | C07 | C08 | O09 | 93.9° | 54.6° |
| C07 | C11 | C12 | O14 | 146.2° | 0.0° |
| C07 | C11 | C12 | O13 | 36.3° | 180.0° |
| C11 | C07 | C06 | H061 | 2.5° | 5.3° |
| C07 | C11 | H112 | H111 | 117.6° | 120.0° |
| C08 | C07 | C11 | C12 | 5.7° | 84.9° |
| C07 | C08 | O10 | O09 | 177.6° | 179.9° |
| C08 | C07 | C06 | H061 | 173.4° | 174.7° |
| C08 | C07 | C11 | H112 | 115.0° | 35.0° |
| C08 | C07 | C11 | H111 | 126.5° | 155.1° |
| C07 | C08 | O09 | H2 | 177.8° | 180.0° |
| C11 | C12 | O14 | O13 | 177.6° | 180.0° |
| C12 | C11 | H112 | H111 | 117.7° | 120.1° |
| C11 | C12 | O13 | H3 | 177.7° | 179.9° |
| O10 | C08 | O09 | H2 | 0.0° | 0.1° |
| O14 | C12 | C11 | H112 | 93.1° | 119.9° |
| O14 | C12 | C11 | H111 | 25.4° | 119.9° |
| O14 | C12 | O13 | H3 | 0.0° | 0.1° |
| O13 | C12 | C11 | H112 | 84.5° | 60.1° |
| O13 | C12 | C11 | H111 | 157.0° | 60.1° |
