EO8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O17 | C07 | doub | 1.22Å | 1.22Å | |
C01 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
C01 | C06 | sing | 1.40Å | 1.38Å | Aromatic |
C07 | C06 | sing | 1.48Å | 1.50Å | |
C07 | C08 | sing | 1.48Å | 1.50Å | |
C02 | C03 | sing | 1.40Å | 1.39Å | Aromatic |
O15 | C14 | doub | 1.22Å | 1.26Å | |
C06 | C05 | doub | 1.40Å | 1.38Å | Aromatic |
C08 | C09 | doub | 1.39Å | 1.39Å | Aromatic |
C08 | C13 | sing | 1.41Å | 1.40Å | Aromatic |
C09 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
C14 | C13 | sing | 1.48Å | 1.49Å | |
C14 | O16 | sing | 1.35Å | 1.26Å | |
O22 | C21 | doub | 1.21Å | 1.26Å | |
C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
C03 | C21 | sing | 1.48Å | 1.49Å | |
C03 | C04 | doub | 1.40Å | 1.40Å | Aromatic |
C05 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
C21 | O23 | sing | 1.35Å | 1.26Å | |
C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
C04 | N18 | sing | 1.48Å | 1.44Å | |
N18 | O19 | sing | 1.22Å | 1.22Å | |
N18 | O20 | doub | 1.22Å | 1.22Å | |
C10 | H101 | sing | 1.08Å | 1.08Å | |
C01 | H011 | sing | 1.08Å | 1.08Å | |
C02 | H021 | sing | 1.08Å | 1.08Å | |
C05 | H051 | sing | 1.08Å | 1.08Å | |
C09 | H091 | sing | 1.08Å | 1.08Å | |
C11 | H111 | sing | 1.08Å | 1.08Å | |
C12 | H121 | sing | 1.08Å | 1.08Å | |
O16 | H1 | sing | 0.97Å | 0.95Å | |
O23 | H2 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O17 | C07 | C06 | 119.4° | 120.0° |
O17 | C07 | C08 | 120.9° | 120.0° |
C02 | C01 | C06 | 119.7° | 120.0° |
C01 | C02 | C03 | 121.2° | 120.0° |
C02 | C01 | H011 | 120.1° | 120.0° |
C01 | C02 | H021 | 119.4° | 120.0° |
C01 | C06 | C07 | 120.3° | 120.0° |
C01 | C06 | C05 | 119.3° | 120.0° |
C06 | C01 | H011 | 120.1° | 120.0° |
C06 | C07 | C08 | 119.7° | 120.0° |
C07 | C06 | C05 | 120.4° | 120.0° |
C07 | C08 | C09 | 117.7° | 120.2° |
C07 | C08 | C13 | 123.6° | 120.3° |
C02 | C03 | C21 | 116.4° | 120.0° |
C02 | C03 | C04 | 119.4° | 120.0° |
C03 | C02 | H021 | 119.4° | 120.0° |
O15 | C14 | C13 | 120.3° | 120.0° |
O15 | C14 | O16 | 121.1° | 120.0° |
C06 | C05 | C04 | 121.9° | 120.0° |
C06 | C05 | H051 | 119.1° | 120.0° |
C09 | C08 | C13 | 118.7° | 119.5° |
C08 | C09 | C10 | 120.8° | 120.0° |
C08 | C09 | H091 | 119.6° | 120.0° |
C08 | C13 | C14 | 123.6° | 120.2° |
C08 | C13 | C12 | 120.0° | 119.6° |
C09 | C10 | C11 | 120.2° | 120.4° |
C09 | C10 | H101 | 119.9° | 119.8° |
C10 | C09 | H091 | 119.6° | 120.0° |
C13 | C14 | O16 | 118.7° | 120.0° |
C14 | C13 | C12 | 116.3° | 120.2° |
C14 | O16 | H1 | 109.5° | 117.0° |
O22 | C21 | C03 | 119.4° | 120.1° |
O22 | C21 | O23 | 120.1° | 120.0° |
C13 | C12 | C11 | 120.6° | 120.0° |
C13 | C12 | H121 | 119.7° | 120.0° |
C21 | C03 | C04 | 124.1° | 119.9° |
C03 | C21 | O23 | 120.5° | 119.9° |
C03 | C04 | C05 | 118.5° | 120.0° |
C03 | C04 | N18 | 125.1° | 120.0° |
C05 | C04 | N18 | 116.4° | 120.0° |
C04 | C05 | H051 | 119.1° | 120.0° |
C10 | C11 | C12 | 119.6° | 120.4° |
C11 | C10 | H101 | 119.9° | 119.8° |
C10 | C11 | H111 | 120.2° | 119.8° |
C21 | O23 | H2 | 109.5° | 117.0° |
C12 | C11 | H111 | 120.2° | 119.8° |
C11 | C12 | H121 | 119.7° | 120.0° |
C04 | N18 | O19 | 123.1° | 120.0° |
C04 | N18 | O20 | 118.9° | 120.0° |
O19 | N18 | O20 | 118.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O17 | C07 | C06 | C01 | 10.5° | 174.5° |
O17 | C07 | C06 | C08 | 179.9° | 179.9° |
O17 | C07 | C06 | C05 | 169.8° | 5.5° |
O17 | C07 | C08 | C09 | 62.5° | 76.7° |
O17 | C07 | C08 | C13 | 117.3° | 102.8° |
C02 | C01 | C06 | H011 | 180.0° | 179.8° |
C02 | C01 | C06 | C07 | 179.9° | 180.0° |
C01 | C02 | C03 | H021 | 180.0° | 180.0° |
C02 | C01 | C06 | C05 | 0.4° | 0.1° |
C01 | C02 | C03 | C21 | 179.7° | 180.0° |
C01 | C02 | C03 | C04 | 0.1° | 0.1° |
C01 | C06 | C07 | C05 | 179.7° | 180.0° |
C01 | C06 | C07 | C08 | 169.4° | 5.6° |
C06 | C01 | C02 | C03 | 0.3° | 0.1° |
C01 | C06 | C05 | C04 | 0.2° | 0.1° |
C06 | C01 | C02 | H021 | 179.8° | 180.0° |
C01 | C06 | C05 | H051 | 179.8° | 180.0° |
C06 | C07 | C08 | C09 | 117.6° | 103.4° |
C06 | C07 | C08 | C13 | 62.7° | 77.1° |
C07 | C06 | C05 | C04 | 179.9° | 180.0° |
C07 | C06 | C01 | H011 | 0.1° | 0.3° |
C07 | C06 | C05 | H051 | 0.1° | 0.1° |
C08 | C07 | C06 | C05 | 10.3° | 174.4° |
C07 | C08 | C09 | C13 | 179.8° | 179.5° |
C07 | C08 | C09 | C10 | 180.0° | 180.0° |
C07 | C08 | C13 | C14 | 0.2° | 0.3° |
C07 | C08 | C13 | C12 | 179.8° | 179.7° |
C07 | C08 | C09 | H091 | 0.0° | 0.1° |
C02 | C03 | C21 | O22 | 50.2° | 173.3° |
C02 | C03 | C21 | C04 | 179.6° | 180.0° |
C02 | C03 | C04 | C05 | 0.3° | 0.1° |
C02 | C03 | C21 | O23 | 129.3° | 6.7° |
C02 | C03 | C04 | N18 | 179.8° | 179.9° |
C03 | C02 | C01 | H011 | 179.8° | 179.7° |
O15 | C14 | C13 | C08 | 26.2° | 5.2° |
O15 | C14 | C13 | O16 | 179.3° | 180.0° |
O15 | C14 | C13 | C12 | 154.2° | 175.3° |
O15 | C14 | O16 | H1 | 0.0° | 0.0° |
C06 | C05 | C04 | C03 | 0.2° | 0.1° |
C06 | C05 | C04 | H051 | 180.0° | 179.9° |
C06 | C05 | C04 | N18 | 179.9° | 179.9° |
C05 | C06 | C01 | H011 | 179.6° | 179.7° |
C08 | C09 | C10 | H091 | 180.0° | 179.9° |
C09 | C08 | C13 | C14 | 179.9° | 179.8° |
C09 | C08 | C13 | C12 | 0.5° | 0.8° |
C08 | C09 | C10 | C11 | 0.1° | 0.0° |
C08 | C09 | C10 | H101 | 179.8° | 179.7° |
C13 | C08 | C09 | C10 | 0.3° | 0.5° |
C08 | C13 | C14 | C12 | 179.6° | 179.5° |
C08 | C13 | C14 | O16 | 154.5° | 174.8° |
C08 | C13 | C12 | C11 | 0.3° | 0.5° |
C13 | C08 | C09 | H091 | 179.7° | 179.4° |
C08 | C13 | C12 | H121 | 179.8° | 179.9° |
C09 | C10 | C11 | H101 | 180.0° | 179.7° |
C09 | C10 | C11 | C12 | 0.3° | 0.3° |
C09 | C10 | C11 | H111 | 179.7° | 179.7° |
C14 | C13 | C12 | C11 | 179.9° | 180.0° |
C14 | C13 | C12 | H121 | 0.1° | 0.6° |
C13 | C14 | O16 | H1 | 179.3° | 180.0° |
O16 | C14 | C13 | C12 | 25.1° | 4.7° |
O22 | C21 | C03 | O23 | 179.6° | 180.0° |
O22 | C21 | C03 | C04 | 129.3° | 6.7° |
O22 | C21 | O23 | H2 | 0.0° | 0.0° |
C13 | C12 | C11 | C10 | 0.2° | 0.0° |
C13 | C12 | C11 | H121 | 180.0° | 179.4° |
C13 | C12 | C11 | H111 | 179.9° | 180.0° |
C21 | C03 | C04 | C05 | 179.9° | 180.0° |
C21 | C03 | C04 | N18 | 0.2° | 0.0° |
C21 | C03 | C02 | H021 | 0.3° | 0.0° |
C03 | C21 | O23 | H2 | 179.6° | 179.9° |
C03 | C04 | C05 | N18 | 179.9° | 180.0° |
C04 | C03 | C21 | O23 | 51.1° | 173.3° |
C03 | C04 | N18 | O19 | 23.9° | 129.0° |
C03 | C04 | N18 | O20 | 157.1° | 51.0° |
C04 | C03 | C02 | H021 | 179.9° | 180.0° |
C03 | C04 | C05 | H051 | 179.8° | 180.0° |
C05 | C04 | N18 | O19 | 156.2° | 51.0° |
C05 | C04 | N18 | O20 | 22.8° | 129.0° |
C10 | C11 | C12 | H111 | 180.0° | 180.0° |
C11 | C10 | C09 | H091 | 179.9° | 180.0° |
C10 | C11 | C12 | H121 | 179.8° | 179.4° |
C12 | C11 | C10 | H101 | 179.6° | 179.9° |
C04 | N18 | O19 | O20 | 179.0° | 180.0° |
N18 | C04 | C05 | H051 | 0.1° | 0.0° |
H101 | C10 | C09 | H091 | 0.2° | 0.4° |
H101 | C10 | C11 | H111 | 0.4° | 0.1° |
H011 | C01 | C02 | H021 | 0.2° | 0.3° |
H111 | C11 | C12 | H121 | 0.1° | 0.6° |