9KL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C12 | sing | 1.48Å | 1.53Å | |
| C12 | O13 | doub | 1.22Å | 1.19Å | |
| C12 | C08 | sing | 1.48Å | 1.52Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C08 | C07 | doub | 1.40Å | 1.38Å | Aromatic |
| C08 | C09 | sing | 1.40Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C02 | sing | 1.51Å | 1.52Å | |
| C06 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.51Å | 1.53Å | |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | O04 | doub | 1.21Å | 1.26Å | |
| C03 | O05 | sing | 1.34Å | 1.26Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| O05 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C18 | C19 | 119.7° | 120.1° |
| C18 | C17 | C16 | 120.2° | 120.3° |
| C18 | C17 | H171 | 119.9° | 119.9° |
| C17 | C18 | H181 | 120.2° | 119.9° |
| C18 | C19 | C14 | 120.2° | 119.9° |
| C19 | C18 | H181 | 120.2° | 119.9° |
| C18 | C19 | H191 | 119.9° | 120.1° |
| C17 | C16 | C15 | 120.2° | 120.2° |
| C17 | C16 | H161 | 119.9° | 119.9° |
| C16 | C17 | H171 | 119.9° | 119.8° |
| C19 | C14 | C15 | 120.0° | 119.7° |
| C19 | C14 | C12 | 120.5° | 120.2° |
| C14 | C19 | H191 | 119.9° | 120.1° |
| C16 | C15 | C14 | 119.8° | 119.8° |
| C16 | C15 | H151 | 120.1° | 120.1° |
| C15 | C16 | H161 | 119.9° | 119.9° |
| C15 | C14 | C12 | 119.6° | 120.2° |
| C14 | C15 | H151 | 120.1° | 120.1° |
| C14 | C12 | O13 | 119.7° | 120.0° |
| C14 | C12 | C08 | 121.8° | 120.0° |
| O13 | C12 | C08 | 118.5° | 120.0° |
| C12 | C08 | C07 | 119.9° | 120.2° |
| C12 | C08 | C09 | 119.9° | 120.2° |
| C01 | C02 | C06 | 110.0° | 109.5° |
| C01 | C02 | C03 | 107.8° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C01 | C02 | H021 | 108.2° | 109.5° |
| C07 | C08 | C09 | 120.2° | 119.7° |
| C08 | C07 | C06 | 120.0° | 119.9° |
| C08 | C07 | H071 | 120.0° | 120.1° |
| C08 | C09 | C10 | 119.6° | 119.9° |
| C08 | C09 | H091 | 120.2° | 120.0° |
| C07 | C06 | C02 | 116.5° | 119.9° |
| C07 | C06 | C11 | 120.3° | 120.1° |
| C06 | C07 | H071 | 120.0° | 120.1° |
| C09 | C10 | C11 | 120.7° | 120.1° |
| C09 | C10 | H101 | 119.6° | 120.0° |
| C10 | C09 | H091 | 120.2° | 120.1° |
| C02 | C06 | C11 | 123.2° | 120.0° |
| C06 | C02 | C03 | 114.3° | 109.5° |
| C06 | C02 | H021 | 108.3° | 109.4° |
| C06 | C11 | C10 | 119.2° | 120.3° |
| C06 | C11 | H111 | 120.4° | 119.8° |
| C02 | C03 | O04 | 118.0° | 120.0° |
| C02 | C03 | O05 | 121.9° | 120.0° |
| C03 | C02 | H021 | 108.1° | 109.5° |
| C11 | C10 | H101 | 119.7° | 119.9° |
| C10 | C11 | H111 | 120.4° | 119.8° |
| O04 | C03 | O05 | 120.1° | 119.9° |
| C03 | O05 | H1 | 109.5° | 117.0° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C18 | C19 | H181 | 180.0° | 179.6° |
| C18 | C17 | C16 | H171 | 180.0° | 180.0° |
| C17 | C18 | C19 | C14 | 0.0° | 0.6° |
| C18 | C17 | C16 | C15 | 0.1° | 0.0° |
| C18 | C17 | C16 | H161 | 179.9° | 179.9° |
| C17 | C18 | C19 | H191 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.2° | 0.3° |
| C18 | C19 | C14 | H191 | 180.0° | 179.4° |
| C18 | C19 | C14 | C15 | 0.2° | 0.6° |
| C18 | C19 | C14 | C12 | 179.4° | 179.7° |
| C19 | C18 | C17 | H171 | 179.8° | 179.7° |
| C17 | C16 | C15 | H161 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 0.1° | 0.0° |
| C17 | C16 | C15 | H151 | 179.9° | 180.0° |
| C16 | C17 | C18 | H181 | 179.8° | 179.9° |
| C19 | C14 | C15 | C16 | 0.3° | 0.3° |
| C19 | C14 | C15 | C12 | 179.2° | 179.7° |
| C19 | C14 | C12 | O13 | 138.3° | 146.7° |
| C19 | C14 | C12 | C08 | 41.7° | 33.3° |
| C19 | C14 | C15 | H151 | 179.7° | 179.7° |
| C14 | C19 | C18 | H181 | 180.0° | 179.7° |
| C16 | C15 | C14 | H151 | 180.0° | 180.0° |
| C16 | C15 | C14 | C12 | 179.5° | 180.0° |
| C15 | C16 | C17 | H171 | 179.9° | 180.0° |
| C15 | C14 | C12 | O13 | 40.9° | 33.6° |
| C15 | C14 | C12 | C08 | 139.1° | 146.4° |
| C14 | C15 | C16 | H161 | 179.9° | 179.9° |
| C15 | C14 | C19 | H191 | 179.8° | 180.0° |
| C14 | C12 | O13 | C08 | 180.0° | 179.9° |
| C14 | C12 | C08 | C07 | 23.7° | 172.4° |
| C14 | C12 | C08 | C09 | 157.5° | 8.4° |
| C12 | C14 | C15 | H151 | 0.5° | 0.0° |
| C12 | C14 | C19 | H191 | 0.6° | 0.3° |
| O13 | C12 | C08 | C07 | 156.3° | 7.6° |
| O13 | C12 | C08 | C09 | 22.5° | 171.6° |
| C12 | C08 | C07 | C09 | 178.8° | 179.2° |
| C12 | C08 | C07 | C06 | 178.7° | 179.9° |
| C12 | C08 | C09 | C10 | 179.1° | 179.8° |
| C12 | C08 | C07 | H071 | 1.3° | 0.6° |
| C12 | C08 | C09 | H091 | 1.0° | 0.2° |
| C01 | C02 | C06 | C07 | 130.5° | 120.0° |
| C01 | C02 | C06 | C03 | 121.4° | 120.0° |
| C01 | C02 | C06 | H021 | 118.1° | 120.0° |
| C01 | C02 | C06 | C11 | 47.9° | 60.0° |
| C01 | C02 | C03 | H021 | 116.7° | 120.0° |
| C01 | C02 | C03 | O04 | 65.6° | 120.0° |
| C01 | C02 | C03 | O05 | 114.8° | 60.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 119.9° |
| C02 | C01 | H012 | H011 | 120.0° | 119.9° |
| C08 | C07 | C06 | H071 | 180.0° | 179.4° |
| C07 | C08 | C09 | C10 | 0.2° | 0.6° |
| C08 | C07 | C06 | C02 | 179.4° | 179.4° |
| C08 | C07 | C06 | C11 | 1.0° | 0.6° |
| C07 | C08 | C09 | H091 | 179.8° | 179.4° |
| C09 | C08 | C07 | C06 | 0.2° | 0.9° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.2° | 0.0° |
| C08 | C09 | C10 | H101 | 179.8° | 179.7° |
| C09 | C08 | C07 | H071 | 179.9° | 179.7° |
| C07 | C06 | C02 | C11 | 178.4° | 180.0° |
| C07 | C06 | C02 | C03 | 108.1° | 120.0° |
| C07 | C06 | C11 | C10 | 1.4° | 0.0° |
| C07 | C06 | C02 | H021 | 12.4° | 0.0° |
| C07 | C06 | C11 | H111 | 178.6° | 180.0° |
| C09 | C10 | C11 | C06 | 1.0° | 0.3° |
| C09 | C10 | C11 | H101 | 180.0° | 179.7° |
| C09 | C10 | C11 | H111 | 179.0° | 179.7° |
| C06 | C02 | C03 | H021 | 120.7° | 120.0° |
| C02 | C06 | C11 | C10 | 179.7° | 180.0° |
| C06 | C02 | C03 | O04 | 171.8° | 0.0° |
| C06 | C02 | C03 | O05 | 7.8° | 180.0° |
| C06 | C02 | C01 | H013 | 180.0° | 60.0° |
| C06 | C02 | C01 | H012 | 60.0° | 180.0° |
| C06 | C02 | C01 | H011 | 60.0° | 60.0° |
| C02 | C06 | C07 | H071 | 0.6° | 0.0° |
| C02 | C06 | C11 | H111 | 0.3° | 0.0° |
| C11 | C06 | C02 | C03 | 73.5° | 60.0° |
| C06 | C11 | C10 | H111 | 180.0° | 180.0° |
| C06 | C11 | C10 | H101 | 179.0° | 180.0° |
| C11 | C06 | C02 | H021 | 165.9° | 180.0° |
| C11 | C06 | C07 | H071 | 179.0° | 180.0° |
| C02 | C03 | O04 | O05 | 179.6° | 179.9° |
| C03 | C02 | C01 | H013 | 54.8° | 180.0° |
| C03 | C02 | C01 | H012 | 65.2° | 60.0° |
| C03 | C02 | C01 | H011 | 174.8° | 60.0° |
| C02 | C03 | O05 | H1 | 179.6° | 180.0° |
| C11 | C10 | C09 | H091 | 179.8° | 180.0° |
| O04 | C03 | C02 | H021 | 51.2° | 120.0° |
| O04 | C03 | O05 | H1 | 0.0° | 0.0° |
| O05 | C03 | C02 | H021 | 128.4° | 60.1° |
| H101 | C10 | C09 | H091 | 0.2° | 0.3° |
| H101 | C10 | C11 | H111 | 1.0° | 0.0° |
| H013 | C01 | H012 | H011 | 120.0° | 120.1° |
| H013 | C01 | C02 | H021 | 61.9° | 60.0° |
| H012 | C01 | C02 | H021 | 178.1° | 60.0° |
| H011 | C01 | C02 | H021 | 58.1° | 180.0° |
| H151 | C15 | C16 | H161 | 0.1° | 0.1° |
| H161 | C16 | C17 | H171 | 0.1° | 0.1° |
| H171 | C17 | C18 | H181 | 0.2° | 0.1° |
| H181 | C18 | C19 | H191 | 0.0° | 0.3° |
