EAY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O06 | C04 | doub | 1.22Å | 1.26Å | |
C07 | C08 | sing | 1.37Å | 1.52Å | |
C07 | C03 | doub | 1.37Å | 1.53Å | |
C08 | C09 | doub | 1.32Å | 1.53Å | |
C03 | C04 | sing | 1.47Å | 1.53Å | |
C03 | C02 | sing | 1.45Å | 1.54Å | |
C04 | O05 | sing | 1.35Å | 1.26Å | |
C11 | C02 | sing | 1.50Å | 1.54Å | |
C11 | O12 | sing | 1.43Å | 1.51Å | |
C11 | O10 | sing | 1.45Å | 1.40Å | |
C02 | N01 | doub | 1.30Å | 1.26Å | |
C09 | O10 | sing | 1.33Å | 1.40Å | |
N01 | H1 | sing | 0.97Å | 1.00Å | |
O05 | H3 | sing | 0.97Å | 0.95Å | |
C07 | H4 | sing | 1.08Å | 1.08Å | |
C08 | H6 | sing | 1.08Å | 1.08Å | |
C09 | H8 | sing | 1.08Å | 1.08Å | |
C11 | H10 | sing | 1.09Å | 1.10Å | |
O12 | H11 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O06 | C04 | C03 | 120.6° | 120.0° |
O06 | C04 | O05 | 119.8° | 120.0° |
C08 | C07 | C03 | 118.7° | 128.3° |
C07 | C08 | C09 | 118.6° | 131.2° |
C08 | C07 | H4 | 120.6° | 115.9° |
C07 | C08 | H6 | 120.7° | 114.4° |
C07 | C03 | C04 | 119.0° | 118.3° |
C07 | C03 | C02 | 120.1° | 123.5° |
C03 | C07 | H4 | 120.7° | 115.9° |
C08 | C09 | O10 | 120.1° | 129.0° |
C09 | C08 | H6 | 120.7° | 114.4° |
C08 | C09 | H8 | 120.0° | 115.5° |
C04 | C03 | C02 | 120.6° | 118.3° |
C03 | C04 | O05 | 119.6° | 120.0° |
C03 | C02 | C11 | 119.6° | 122.1° |
C03 | C02 | N01 | 119.0° | 119.0° |
C04 | O05 | H3 | 109.5° | 117.0° |
C02 | C11 | O12 | 116.6° | 109.4° |
C02 | C11 | O10 | 109.6° | 110.1° |
C11 | C02 | N01 | 121.4° | 119.0° |
C02 | C11 | H10 | 106.2° | 109.3° |
O12 | C11 | O10 | 109.5° | 109.5° |
O12 | C11 | H10 | 106.6° | 109.3° |
C11 | O12 | H11 | 109.5° | 114.0° |
C11 | O10 | C09 | 113.4° | 120.8° |
O10 | C11 | H10 | 107.9° | 109.3° |
C02 | N01 | H1 | 112.0° | 120.0° |
O10 | C09 | H8 | 120.0° | 115.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O06 | C04 | C03 | C07 | 21.3° | 0.1° |
O06 | C04 | C03 | O05 | 179.1° | 179.9° |
O06 | C04 | C03 | C02 | 165.0° | 180.0° |
O06 | C04 | O05 | H3 | 0.0° | 0.0° |
C08 | C07 | C03 | H4 | 180.0° | 179.9° |
C07 | C08 | C09 | H6 | 180.0° | 179.9° |
C08 | C07 | C03 | C04 | 148.7° | 177.7° |
C08 | C07 | C03 | C02 | 25.0° | 2.4° |
C07 | C08 | C09 | O10 | 76.7° | 3.0° |
C07 | C08 | C09 | H8 | 103.3° | 177.1° |
C03 | C07 | C08 | C09 | 21.1° | 1.0° |
C07 | C03 | C04 | C02 | 173.6° | 179.9° |
C07 | C03 | C04 | O05 | 157.8° | 180.0° |
C07 | C03 | C02 | C11 | 8.0° | 33.1° |
C07 | C03 | C02 | N01 | 173.9° | 147.3° |
C03 | C07 | C08 | H6 | 158.9° | 178.9° |
C08 | C09 | O10 | C11 | 25.5° | 37.5° |
C08 | C09 | O10 | H8 | 180.0° | 179.9° |
C09 | C08 | C07 | H4 | 158.9° | 178.9° |
C04 | C03 | C02 | C11 | 178.5° | 147.0° |
C04 | C03 | C02 | N01 | 0.3° | 32.6° |
C03 | C04 | O05 | H3 | 179.1° | 180.0° |
C04 | C03 | C07 | H4 | 31.3° | 2.4° |
C02 | C03 | C04 | O05 | 15.9° | 0.1° |
C03 | C02 | C11 | N01 | 178.1° | 179.7° |
C03 | C02 | C11 | O12 | 154.0° | 53.6° |
C03 | C02 | C11 | O10 | 80.9° | 66.7° |
C03 | C02 | N01 | H1 | 178.1° | 180.0° |
C02 | C03 | C07 | H4 | 155.0° | 177.5° |
C03 | C02 | C11 | H10 | 35.4° | 173.3° |
C02 | C11 | O12 | O10 | 125.1° | 120.7° |
C02 | C11 | O12 | H10 | 118.4° | 119.6° |
C02 | C11 | O10 | H10 | 115.3° | 120.0° |
C02 | C11 | O10 | C09 | 62.4° | 68.6° |
C11 | C02 | N01 | H1 | 0.0° | 0.3° |
C02 | C11 | O12 | H11 | 180.0° | 180.0° |
O12 | C11 | O10 | H10 | 115.7° | 119.7° |
O12 | C11 | C02 | N01 | 24.0° | 126.0° |
O12 | C11 | O10 | C09 | 168.6° | 51.6° |
O10 | C11 | C02 | N01 | 101.0° | 113.7° |
C11 | O10 | C09 | H8 | 154.5° | 142.5° |
O10 | C11 | O12 | H11 | 54.9° | 59.4° |
N01 | C02 | C11 | H10 | 142.7° | 6.4° |
O10 | C09 | C08 | H6 | 103.3° | 177.1° |
C09 | O10 | C11 | H10 | 52.9° | 171.3° |
H4 | C07 | C08 | H6 | 21.1° | 1.2° |
H6 | C08 | C09 | H8 | 76.7° | 2.8° |
H10 | C11 | O12 | H11 | 61.6° | 60.4° |