8HL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | C13 | sing | 1.36Å | 1.38Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C10 | sing | 1.39Å | 1.37Å | Aromatic |
| C13 | C15 | sing | 1.40Å | 1.37Å | Aromatic |
| O11 | C10 | sing | 1.36Å | 1.38Å | |
| O18 | C16 | doub | 1.22Å | 1.25Å | |
| C10 | C09 | doub | 1.39Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.47Å | 1.50Å | |
| C15 | C08 | doub | 1.40Å | 1.38Å | Aromatic |
| C16 | O17 | sing | 1.35Å | 1.26Å | |
| C09 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.51Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.50Å | |
| C06 | C05 | sing | 1.53Å | 1.52Å | |
| C04 | C05 | sing | 1.53Å | 1.49Å | |
| C04 | C03 | sing | 1.53Å | 1.51Å | |
| C02 | C03 | sing | 1.53Å | 1.50Å | |
| C02 | C01 | sing | 1.53Å | 1.51Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| O11 | H111 | sing | 0.97Å | 0.95Å | |
| O14 | H141 | sing | 0.97Å | 0.95Å | |
| O17 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O14 | C13 | C12 | 115.9° | 120.1° |
| O14 | C13 | C15 | 120.0° | 120.1° |
| C13 | O14 | H141 | 109.5° | 114.0° |
| C13 | C12 | C10 | 117.9° | 120.1° |
| C12 | C13 | C15 | 124.1° | 119.8° |
| C13 | C12 | H121 | 121.1° | 120.0° |
| C12 | C10 | O11 | 122.3° | 119.9° |
| C12 | C10 | C09 | 119.9° | 120.2° |
| C10 | C12 | H121 | 121.0° | 119.9° |
| C13 | C15 | C16 | 118.5° | 120.2° |
| C13 | C15 | C08 | 116.8° | 119.7° |
| O11 | C10 | C09 | 117.7° | 119.9° |
| C10 | O11 | H111 | 109.5° | 114.0° |
| O18 | C16 | C15 | 119.3° | 120.0° |
| O18 | C16 | O17 | 121.0° | 120.0° |
| C10 | C09 | C08 | 121.1° | 120.2° |
| C10 | C09 | H091 | 119.5° | 119.9° |
| C16 | C15 | C08 | 124.6° | 120.1° |
| C15 | C16 | O17 | 119.6° | 120.0° |
| C15 | C08 | C09 | 120.1° | 120.0° |
| C15 | C08 | C07 | 123.2° | 120.0° |
| C16 | O17 | H1 | 109.5° | 116.9° |
| C09 | C08 | C07 | 116.6° | 120.0° |
| C08 | C09 | H091 | 119.4° | 119.9° |
| C08 | C07 | C06 | 108.7° | 109.5° |
| C08 | C07 | H072 | 109.6° | 109.5° |
| C08 | C07 | H071 | 109.7° | 109.5° |
| C07 | C06 | C05 | 109.6° | 109.5° |
| C07 | C06 | H061 | 109.4° | 109.5° |
| C07 | C06 | H062 | 109.5° | 109.4° |
| C06 | C07 | H072 | 109.7° | 109.5° |
| C06 | C07 | H071 | 109.6° | 109.4° |
| C06 | C05 | C04 | 109.7° | 109.5° |
| C06 | C05 | H051 | 109.4° | 109.5° |
| C06 | C05 | H052 | 109.4° | 109.5° |
| C05 | C06 | H061 | 109.5° | 109.5° |
| C05 | C06 | H062 | 109.5° | 109.5° |
| C05 | C04 | C03 | 113.7° | 109.5° |
| C05 | C04 | H042 | 108.4° | 109.4° |
| C05 | C04 | H041 | 108.4° | 109.5° |
| C04 | C05 | H051 | 109.4° | 109.5° |
| C04 | C05 | H052 | 109.4° | 109.5° |
| C04 | C03 | C02 | 109.4° | 109.4° |
| C04 | C03 | H032 | 109.5° | 109.4° |
| C04 | C03 | H031 | 109.5° | 109.5° |
| C03 | C04 | H042 | 108.4° | 109.4° |
| C03 | C04 | H041 | 108.4° | 109.5° |
| C03 | C02 | C01 | 112.7° | 109.4° |
| C03 | C02 | H021 | 108.7° | 109.4° |
| C03 | C02 | H022 | 108.7° | 109.5° |
| C02 | C03 | H032 | 109.5° | 109.4° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C01 | C02 | H021 | 108.7° | 109.5° |
| C01 | C02 | H022 | 108.7° | 109.5° |
| H013 | C01 | H012 | 109.4° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.4° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H021 | C02 | H022 | 109.5° | 109.5° |
| H032 | C03 | H031 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H051 | C05 | H052 | 109.4° | 109.4° |
| H061 | C06 | H062 | 109.5° | 109.4° |
| H072 | C07 | H071 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | C13 | C12 | C15 | 177.5° | 180.0° |
| O14 | C13 | C12 | C10 | 178.6° | 180.0° |
| O14 | C13 | C15 | C16 | 4.6° | 0.0° |
| O14 | C13 | C15 | C08 | 179.8° | 180.0° |
| O14 | C13 | C12 | H121 | 1.4° | 0.0° |
| C13 | C12 | C10 | H121 | 180.0° | 180.0° |
| C13 | C12 | C10 | O11 | 179.6° | 179.7° |
| C13 | C12 | C10 | C09 | 0.8° | 0.0° |
| C12 | C13 | C15 | C16 | 177.9° | 180.0° |
| C12 | C13 | C15 | C08 | 2.3° | 0.0° |
| C12 | C13 | O14 | H141 | 172.5° | 90.0° |
| C10 | C12 | C13 | C15 | 1.1° | 0.0° |
| C12 | C10 | O11 | C09 | 178.9° | 179.7° |
| C12 | C10 | C09 | C08 | 1.9° | 0.0° |
| C12 | C10 | C09 | H091 | 178.1° | 179.9° |
| C12 | C10 | O11 | H111 | 180.0° | 90.3° |
| C13 | C15 | C16 | O18 | 22.3° | 90.0° |
| C13 | C15 | C16 | C08 | 175.2° | 180.0° |
| C13 | C15 | C16 | O17 | 154.2° | 89.9° |
| C13 | C15 | C08 | C09 | 3.4° | 0.0° |
| C13 | C15 | C08 | C07 | 179.7° | 180.0° |
| C15 | C13 | C12 | H121 | 179.0° | 180.0° |
| C15 | C13 | O14 | H141 | 5.2° | 90.0° |
| O11 | C10 | C09 | C08 | 179.2° | 179.7° |
| O11 | C10 | C09 | H091 | 0.8° | 0.2° |
| O11 | C10 | C12 | H121 | 0.4° | 0.3° |
| O18 | C16 | C15 | O17 | 176.5° | 179.9° |
| O18 | C16 | C15 | C08 | 162.5° | 90.0° |
| O18 | C16 | O17 | H1 | 0.0° | 0.0° |
| C10 | C09 | C08 | C15 | 3.3° | 0.0° |
| C10 | C09 | C08 | H091 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 179.9° | 180.0° |
| C09 | C10 | C12 | H121 | 179.2° | 180.0° |
| C09 | C10 | O11 | H111 | 1.1° | 90.0° |
| C16 | C15 | C08 | C09 | 178.6° | 180.0° |
| C16 | C15 | C08 | C07 | 5.0° | 0.0° |
| C15 | C16 | O17 | H1 | 176.5° | 180.0° |
| C08 | C15 | C16 | O17 | 21.0° | 90.1° |
| C15 | C08 | C09 | C07 | 176.6° | 180.0° |
| C15 | C08 | C07 | C06 | 84.5° | 85.0° |
| C15 | C08 | C07 | H072 | 155.7° | 35.0° |
| C15 | C08 | C07 | H071 | 35.4° | 155.0° |
| C15 | C08 | C09 | H091 | 176.7° | 179.9° |
| C09 | C08 | C07 | C06 | 92.0° | 95.0° |
| C09 | C08 | C07 | H072 | 27.9° | 145.0° |
| C09 | C08 | C07 | H071 | 148.1° | 25.0° |
| C08 | C07 | C06 | H072 | 119.9° | 120.0° |
| C08 | C07 | C06 | H071 | 119.9° | 120.0° |
| C08 | C07 | C06 | C05 | 176.8° | 180.0° |
| C08 | C07 | C06 | H061 | 63.2° | 59.9° |
| C08 | C07 | C06 | H062 | 56.8° | 60.0° |
| C08 | C07 | H072 | H071 | 120.3° | 120.0° |
| C07 | C08 | C09 | H091 | 0.1° | 0.1° |
| C07 | C06 | C05 | H061 | 120.0° | 120.1° |
| C07 | C06 | C05 | H062 | 120.0° | 120.0° |
| C07 | C06 | C05 | C04 | 139.3° | 180.0° |
| C07 | C06 | C05 | H051 | 100.6° | 59.9° |
| C07 | C06 | C05 | H052 | 19.3° | 60.0° |
| C07 | C06 | H061 | H062 | 120.0° | 119.9° |
| C06 | C07 | H072 | H071 | 120.3° | 119.9° |
| C06 | C05 | C04 | H051 | 120.0° | 120.0° |
| C06 | C05 | C04 | H052 | 120.0° | 120.0° |
| C06 | C05 | C04 | C03 | 168.3° | 180.0° |
| C06 | C05 | C04 | H042 | 71.1° | 60.0° |
| C06 | C05 | C04 | H041 | 47.6° | 60.0° |
| C06 | C05 | H051 | H052 | 119.9° | 120.0° |
| C05 | C06 | H061 | H062 | 120.0° | 120.0° |
| C05 | C06 | C07 | H072 | 56.9° | 60.0° |
| C05 | C06 | C07 | H071 | 63.3° | 60.0° |
| C05 | C04 | C03 | H042 | 120.6° | 119.9° |
| C05 | C04 | C03 | H041 | 120.6° | 120.0° |
| C05 | C04 | C03 | C02 | 172.4° | 180.0° |
| C05 | C04 | C03 | H032 | 67.6° | 60.1° |
| C05 | C04 | C03 | H031 | 52.4° | 60.0° |
| C05 | C04 | H042 | H041 | 118.1° | 120.0° |
| C04 | C05 | H051 | H052 | 119.9° | 120.0° |
| C04 | C05 | C06 | H061 | 19.3° | 60.0° |
| C04 | C05 | C06 | H062 | 100.6° | 60.0° |
| C04 | C03 | C02 | H032 | 120.0° | 119.9° |
| C04 | C03 | C02 | H031 | 120.0° | 120.0° |
| C04 | C03 | C02 | C01 | 175.5° | 180.0° |
| C04 | C03 | C02 | H021 | 55.0° | 60.1° |
| C04 | C03 | C02 | H022 | 64.1° | 59.9° |
| C04 | C03 | H032 | H031 | 120.0° | 120.1° |
| C03 | C04 | H042 | H041 | 118.1° | 120.0° |
| C03 | C04 | C05 | H051 | 48.2° | 60.0° |
| C03 | C04 | C05 | H052 | 71.7° | 59.9° |
| C03 | C02 | C01 | H021 | 120.5° | 120.0° |
| C03 | C02 | C01 | H022 | 120.5° | 120.0° |
| C03 | C02 | C01 | H013 | 180.0° | 60.0° |
| C03 | C02 | C01 | H012 | 60.0° | 60.0° |
| C03 | C02 | C01 | H011 | 60.0° | 180.0° |
| C03 | C02 | H021 | H022 | 118.6° | 120.0° |
| C02 | C03 | H032 | H031 | 120.1° | 120.0° |
| C02 | C03 | C04 | H042 | 51.8° | 60.1° |
| C02 | C03 | C04 | H041 | 67.0° | 59.9° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C01 | C02 | H021 | H022 | 118.5° | 120.0° |
| C01 | C02 | C03 | H032 | 64.6° | 60.0° |
| C01 | C02 | C03 | H031 | 55.5° | 60.0° |
| H013 | C01 | H012 | H011 | 120.0° | 120.0° |
| H013 | C01 | C02 | H021 | 59.5° | 59.9° |
| H013 | C01 | C02 | H022 | 59.5° | 179.9° |
| H012 | C01 | C02 | H021 | 179.5° | 180.0° |
| H012 | C01 | C02 | H022 | 60.5° | 60.0° |
| H011 | C01 | C02 | H021 | 60.5° | 60.0° |
| H011 | C01 | C02 | H022 | 179.5° | 60.0° |
| H021 | C02 | C03 | H032 | 175.0° | 180.0° |
| H021 | C02 | C03 | H031 | 65.0° | 60.0° |
| H022 | C02 | C03 | H032 | 55.9° | 60.0° |
| H022 | C02 | C03 | H031 | 176.0° | 180.0° |
| H032 | C03 | C04 | H042 | 171.7° | 180.0° |
| H032 | C03 | C04 | H041 | 53.0° | 60.0° |
| H031 | C03 | C04 | H042 | 68.2° | 59.9° |
| H031 | C03 | C04 | H041 | 173.0° | 180.0° |
| H042 | C04 | C05 | H051 | 168.8° | 180.0° |
| H042 | C04 | C05 | H052 | 48.9° | 60.0° |
| H041 | C04 | C05 | H051 | 72.4° | 60.1° |
| H041 | C04 | C05 | H052 | 167.7° | 180.0° |
| H051 | C05 | C06 | H061 | 139.4° | 180.0° |
| H051 | C05 | C06 | H062 | 19.4° | 60.0° |
| H052 | C05 | C06 | H061 | 100.7° | 60.1° |
| H052 | C05 | C06 | H062 | 139.3° | 180.0° |
| H061 | C06 | C07 | H072 | 176.9° | 180.0° |
| H061 | C06 | C07 | H071 | 56.7° | 60.1° |
| H062 | C06 | C07 | H072 | 63.1° | 60.0° |
| H062 | C06 | C07 | H071 | 176.6° | 180.0° |
