8I6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | C15 | sing | 1.36Å | 1.39Å | |
| C14 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C14 | C12 | sing | 1.39Å | 1.37Å | Aromatic |
| C15 | C17 | sing | 1.40Å | 1.38Å | Aromatic |
| O19 | C18 | doub | 1.21Å | 1.26Å | |
| O13 | C12 | sing | 1.36Å | 1.39Å | |
| C12 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.47Å | 1.53Å | |
| C17 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | O20 | sing | 1.35Å | 1.26Å | |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C09 | sing | 1.51Å | 1.52Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C08 | C07 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C06 | C05 | sing | 1.53Å | 1.54Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | 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 | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| O13 | H131 | sing | 0.97Å | 0.95Å | |
| O16 | H161 | sing | 0.97Å | 0.95Å | |
| O20 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | C15 | C14 | 117.7° | 120.2° |
| O16 | C15 | C17 | 120.8° | 120.1° |
| C15 | O16 | H161 | 109.5° | 114.0° |
| C15 | C14 | C12 | 119.1° | 120.1° |
| C14 | C15 | C17 | 121.5° | 119.7° |
| C15 | C14 | H141 | 120.5° | 120.0° |
| C14 | C12 | O13 | 119.9° | 119.9° |
| C14 | C12 | C11 | 120.6° | 120.3° |
| C12 | C14 | H141 | 120.4° | 120.0° |
| C15 | C17 | C18 | 117.6° | 120.1° |
| C15 | C17 | C10 | 118.8° | 119.7° |
| O19 | C18 | C17 | 119.8° | 120.0° |
| O19 | C18 | O20 | 119.9° | 120.0° |
| O13 | C12 | C11 | 119.5° | 119.9° |
| C12 | O13 | H131 | 109.5° | 114.0° |
| C12 | C11 | C10 | 120.3° | 120.3° |
| C12 | C11 | H111 | 119.8° | 119.9° |
| C18 | C17 | C10 | 123.6° | 120.1° |
| C17 | C18 | O20 | 120.2° | 120.0° |
| C17 | C10 | C11 | 119.7° | 119.9° |
| C17 | C10 | C09 | 122.4° | 120.0° |
| C18 | O20 | H1 | 109.5° | 117.0° |
| C11 | C10 | C09 | 117.9° | 120.1° |
| C10 | C11 | H111 | 119.8° | 119.8° |
| C10 | C09 | C08 | 108.9° | 109.5° |
| C10 | C09 | H092 | 109.6° | 109.5° |
| C10 | C09 | H091 | 109.6° | 109.5° |
| C09 | C08 | C07 | 113.3° | 109.5° |
| C09 | C08 | H081 | 108.5° | 109.5° |
| C09 | C08 | H082 | 108.5° | 109.4° |
| C08 | C09 | H092 | 109.6° | 109.4° |
| C08 | C09 | H091 | 109.6° | 109.4° |
| C08 | C07 | C06 | 113.2° | 109.5° |
| C08 | C07 | H072 | 108.6° | 109.5° |
| C08 | C07 | H071 | 108.5° | 109.5° |
| C07 | C08 | H081 | 108.5° | 109.5° |
| C07 | C08 | H082 | 108.5° | 109.5° |
| C07 | C06 | C05 | 112.8° | 109.5° |
| C07 | C06 | H061 | 108.6° | 109.4° |
| C07 | C06 | H062 | 108.6° | 109.4° |
| C06 | C07 | H072 | 108.5° | 109.5° |
| C06 | C07 | H071 | 108.6° | 109.4° |
| C06 | C05 | C04 | 112.2° | 109.5° |
| C06 | C05 | H052 | 108.8° | 109.5° |
| C06 | C05 | H051 | 108.8° | 109.5° |
| C05 | C06 | H061 | 108.6° | 109.5° |
| C05 | C06 | H062 | 108.6° | 109.5° |
| C05 | C04 | C03 | 113.6° | 109.5° |
| C05 | C04 | H041 | 108.4° | 109.4° |
| C05 | C04 | H042 | 108.4° | 109.5° |
| C04 | C05 | H052 | 108.8° | 109.4° |
| C04 | C05 | H051 | 108.8° | 109.5° |
| C04 | C03 | C02 | 107.9° | 109.5° |
| C04 | C03 | H032 | 109.9° | 109.5° |
| C04 | C03 | H031 | 109.8° | 109.5° |
| C03 | C04 | H041 | 108.4° | 109.5° |
| C03 | C04 | H042 | 108.4° | 109.5° |
| C03 | C02 | C01 | 113.5° | 109.5° |
| C03 | C02 | H022 | 108.5° | 109.5° |
| C03 | C02 | H021 | 108.5° | 109.5° |
| C02 | C03 | H032 | 109.8° | 109.5° |
| C02 | C03 | H031 | 109.9° | 109.4° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C01 | C02 | H022 | 108.5° | 109.5° |
| C01 | C02 | H021 | 108.5° | 109.5° |
| H013 | C01 | H012 | 109.4° | 109.4° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.4° | 109.5° |
| H022 | C02 | H021 | 109.5° | 109.4° |
| H032 | C03 | H031 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H052 | C05 | H051 | 109.5° | 109.4° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H092 | C09 | H091 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C15 | C14 | C17 | 179.4° | 179.9° |
| O16 | C15 | C14 | C12 | 179.6° | 179.7° |
| O16 | C15 | C17 | C18 | 1.2° | 0.1° |
| O16 | C15 | C17 | C10 | 179.8° | 180.0° |
| O16 | C15 | C14 | H141 | 0.4° | 0.0° |
| C15 | C14 | C12 | H141 | 180.0° | 179.7° |
| C15 | C14 | C12 | O13 | 179.8° | 179.8° |
| C15 | C14 | C12 | C11 | 0.0° | 0.3° |
| C14 | C15 | C17 | C18 | 179.3° | 180.0° |
| C14 | C15 | C17 | C10 | 0.8° | 0.1° |
| C14 | C15 | O16 | H161 | 171.9° | 90.0° |
| C12 | C14 | C15 | C17 | 0.2° | 0.4° |
| C14 | C12 | O13 | C11 | 179.8° | 179.9° |
| C14 | C12 | C11 | C10 | 0.4° | 0.0° |
| C14 | C12 | C11 | H111 | 179.6° | 180.0° |
| C14 | C12 | O13 | H131 | 180.0° | 90.1° |
| C15 | C17 | C18 | O19 | 20.4° | 90.0° |
| C15 | C17 | C18 | C10 | 178.5° | 179.9° |
| C15 | C17 | C18 | O20 | 156.4° | 90.0° |
| C15 | C17 | C10 | C11 | 1.2° | 0.2° |
| C15 | C17 | C10 | C09 | 179.2° | 180.0° |
| C17 | C15 | C14 | H141 | 179.8° | 180.0° |
| C17 | C15 | O16 | H161 | 7.5° | 90.0° |
| O19 | C18 | C17 | O20 | 176.8° | 180.0° |
| O19 | C18 | C17 | C10 | 161.1° | 89.9° |
| O19 | C18 | O20 | H1 | 0.0° | 0.0° |
| O13 | C12 | C11 | C10 | 179.3° | 179.9° |
| O13 | C12 | C11 | H111 | 0.7° | 0.1° |
| O13 | C12 | C14 | H141 | 0.2° | 0.1° |
| C12 | C11 | C10 | C17 | 1.0° | 0.2° |
| C12 | C11 | C10 | H111 | 180.0° | 180.0° |
| C12 | C11 | C10 | C09 | 179.1° | 180.0° |
| C11 | C12 | C14 | H141 | 180.0° | 180.0° |
| C11 | C12 | O13 | H131 | 0.2° | 90.0° |
| C18 | C17 | C10 | C11 | 179.6° | 179.7° |
| C18 | C17 | C10 | C09 | 2.4° | 0.1° |
| C17 | C18 | O20 | H1 | 176.8° | 180.0° |
| C10 | C17 | C18 | O20 | 22.1° | 90.1° |
| C17 | C10 | C11 | C09 | 178.1° | 179.8° |
| C17 | C10 | C09 | C08 | 84.3° | 85.1° |
| C17 | C10 | C09 | H092 | 155.8° | 155.0° |
| C17 | C10 | C09 | H091 | 35.6° | 34.9° |
| C17 | C10 | C11 | H111 | 179.0° | 179.8° |
| C11 | C10 | C09 | C08 | 93.7° | 94.7° |
| C11 | C10 | C09 | H092 | 26.2° | 25.2° |
| C11 | C10 | C09 | H091 | 146.4° | 145.3° |
| C10 | C09 | C08 | H092 | 119.9° | 119.9° |
| C10 | C09 | C08 | H091 | 119.9° | 120.0° |
| C10 | C09 | C08 | C07 | 164.6° | 180.0° |
| C10 | C09 | C08 | H081 | 44.1° | 59.9° |
| C10 | C09 | C08 | H082 | 74.8° | 60.1° |
| C10 | C09 | H092 | H091 | 120.3° | 120.1° |
| C09 | C10 | C11 | H111 | 0.9° | 0.0° |
| C09 | C08 | C07 | H081 | 120.6° | 120.0° |
| C09 | C08 | C07 | H082 | 120.6° | 119.9° |
| C09 | C08 | C07 | C06 | 178.9° | 180.0° |
| C09 | C08 | C07 | H072 | 58.4° | 60.0° |
| C09 | C08 | C07 | H071 | 60.5° | 60.0° |
| C09 | C08 | H081 | H082 | 118.3° | 120.0° |
| C08 | C09 | H092 | H091 | 120.3° | 120.0° |
| C08 | C07 | C06 | H072 | 120.6° | 120.0° |
| C08 | C07 | C06 | H071 | 120.5° | 120.0° |
| C08 | C07 | C06 | C05 | 172.1° | 180.0° |
| C08 | C07 | C06 | H061 | 51.6° | 60.0° |
| C08 | C07 | C06 | H062 | 67.4° | 60.0° |
| C08 | C07 | H072 | H071 | 118.3° | 120.0° |
| C07 | C08 | H081 | H082 | 118.3° | 120.0° |
| C07 | C08 | C09 | H092 | 75.5° | 60.0° |
| C07 | C08 | C09 | H091 | 44.7° | 60.0° |
| C07 | C06 | C05 | H061 | 120.5° | 120.0° |
| C07 | C06 | C05 | H062 | 120.5° | 119.9° |
| C07 | C06 | C05 | C04 | 179.6° | 180.0° |
| C07 | C06 | C05 | H052 | 59.3° | 60.0° |
| C07 | C06 | C05 | H051 | 59.9° | 60.0° |
| C07 | C06 | H061 | H062 | 118.5° | 120.0° |
| C06 | C07 | H072 | H071 | 118.3° | 120.0° |
| C06 | C07 | C08 | H081 | 60.5° | 60.0° |
| C06 | C07 | C08 | H082 | 58.3° | 60.1° |
| C06 | C05 | C04 | H052 | 120.4° | 120.0° |
| C06 | C05 | C04 | H051 | 120.4° | 120.0° |
| C06 | C05 | C04 | C03 | 178.8° | NaN° |
| C06 | C05 | C04 | H041 | 58.3° | 60.0° |
| C06 | C05 | C04 | H042 | 60.6° | 60.0° |
| C06 | C05 | H052 | H051 | 118.8° | 120.0° |
| C05 | C06 | H061 | H062 | 118.5° | 120.0° |
| C05 | C06 | C07 | H072 | 67.3° | 60.0° |
| C05 | C06 | C07 | H071 | 51.5° | 60.0° |
| C05 | C04 | C03 | H041 | 120.6° | 119.9° |
| C05 | C04 | C03 | H042 | 120.6° | 120.0° |
| C05 | C04 | C03 | C02 | 178.2° | 180.0° |
| C05 | C04 | C03 | H032 | 62.0° | 60.0° |
| C05 | C04 | C03 | H031 | 58.5° | 60.0° |
| C05 | C04 | H041 | H042 | 118.1° | 120.0° |
| C04 | C05 | H052 | H051 | 118.7° | 120.0° |
| C04 | C05 | C06 | H061 | 59.9° | 60.1° |
| C04 | C05 | C06 | H062 | 59.1° | 60.0° |
| C04 | C03 | C02 | H032 | 119.8° | 120.1° |
| C04 | C03 | C02 | H031 | 119.7° | 120.0° |
| C04 | C03 | C02 | C01 | 161.4° | NaN° |
| C04 | C03 | C02 | H022 | 40.9° | 59.9° |
| C04 | C03 | C02 | H021 | 78.0° | 60.0° |
| C04 | C03 | H032 | H031 | 120.7° | 120.0° |
| C03 | C04 | H041 | H042 | 118.1° | 120.0° |
| C03 | C04 | C05 | H052 | 60.8° | 60.0° |
| C03 | C04 | C05 | H051 | 58.4° | 60.0° |
| C03 | C02 | C01 | H022 | 120.6° | 120.0° |
| C03 | C02 | C01 | H021 | 120.6° | 120.0° |
| C03 | C02 | C01 | H013 | 180.0° | 180.0° |
| C03 | C02 | C01 | H012 | 60.0° | 60.1° |
| C03 | C02 | C01 | H011 | 60.0° | 60.0° |
| C03 | C02 | H022 | H021 | 118.2° | 119.9° |
| C02 | C03 | H032 | H031 | 120.7° | 119.9° |
| C02 | C03 | C04 | H041 | 57.6° | 60.0° |
| C02 | C03 | C04 | H042 | 61.2° | 60.0° |
| C02 | C01 | H013 | H012 | 120.0° | 119.9° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.1° |
| C01 | C02 | H022 | H021 | 118.2° | 120.0° |
| C01 | C02 | C03 | H032 | 78.8° | 59.9° |
| C01 | C02 | C03 | H031 | 41.7° | 60.0° |
| H013 | C01 | H012 | H011 | 120.0° | 120.0° |
| H013 | C01 | C02 | H022 | 59.4° | 60.0° |
| H013 | C01 | C02 | H021 | 59.4° | 60.0° |
| H012 | C01 | C02 | H022 | 179.4° | 60.0° |
| H012 | C01 | C02 | H021 | 60.6° | 179.9° |
| H011 | C01 | C02 | H022 | 60.6° | 180.0° |
| H011 | C01 | C02 | H021 | 179.4° | 60.0° |
| H022 | C02 | C03 | H032 | 160.6° | NaN° |
| H022 | C02 | C03 | H031 | 78.9° | 60.0° |
| H021 | C02 | C03 | H032 | 41.8° | 60.1° |
| H021 | C02 | C03 | H031 | 162.3° | 180.0° |
| H032 | C03 | C04 | H041 | 177.4° | 180.0° |
| H032 | C03 | C04 | H042 | 58.6° | 60.0° |
| H031 | C03 | C04 | H041 | 62.1° | 59.9° |
| H031 | C03 | C04 | H042 | 179.1° | 180.0° |
| H041 | C04 | C05 | H052 | 178.7° | 180.0° |
| H041 | C04 | C05 | H051 | 62.2° | 60.0° |
| H042 | C04 | C05 | H052 | 59.8° | 60.0° |
| H042 | C04 | C05 | H051 | 179.0° | 180.0° |
| H052 | C05 | C06 | H061 | 179.7° | 180.0° |
| H052 | C05 | C06 | H062 | 61.3° | 60.0° |
| H051 | C05 | C06 | H061 | 60.6° | 60.0° |
| H051 | C05 | C06 | H062 | 179.5° | 179.9° |
| H061 | C06 | C07 | H072 | 172.1° | 180.0° |
| H061 | C06 | C07 | H071 | 69.0° | 60.0° |
| H062 | C06 | C07 | H072 | 53.2° | 60.0° |
| H062 | C06 | C07 | H071 | 172.0° | 180.0° |
| H072 | C07 | C08 | H081 | 178.9° | 180.0° |
| H072 | C07 | C08 | H082 | 62.2° | 60.0° |
| H071 | C07 | C08 | H081 | 60.1° | 60.0° |
| H071 | C07 | C08 | H082 | 178.9° | 180.0° |
| H081 | C08 | C09 | H092 | 164.0° | 60.0° |
| H081 | C08 | C09 | H091 | 75.8° | 180.0° |
| H082 | C08 | C09 | H092 | 45.1° | NaN° |
| H082 | C08 | C09 | H091 | 165.3° | 60.0° |
