EF2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O01 | C02 | doub | 1.21Å | 1.22Å | |
C02 | N03 | sing | 1.34Å | 1.36Å | |
C02 | C08 | sing | 1.51Å | 1.51Å | |
N03 | C04 | sing | 1.34Å | 1.35Å | |
C04 | O05 | doub | 1.21Å | 1.21Å | |
C04 | C06 | sing | 1.51Å | 1.51Å | |
C06 | C07 | sing | 1.53Å | 1.55Å | |
C07 | C08 | sing | 1.54Å | 1.54Å | |
C08 | N09 | sing | 1.47Å | 1.46Å | |
N09 | C3 | sing | 1.35Å | 1.36Å | |
N09 | C4 | sing | 1.35Å | 1.37Å | |
C11 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
C11 | C20 | doub | 1.38Å | 1.41Å | Aromatic |
C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
C13 | C14 | sing | 1.41Å | 1.41Å | Aromatic |
C13 | C4 | sing | 1.48Å | 1.52Å | |
C14 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
C14 | C3 | sing | 1.48Å | 1.51Å | |
O16 | C4 | doub | 1.21Å | 1.24Å | |
O18 | C3 | doub | 1.21Å | 1.22Å | |
C19 | C20 | sing | 1.39Å | 1.41Å | Aromatic |
N03 | H03 | sing | 0.97Å | 1.00Å | |
C08 | H08 | sing | 1.09Å | 1.10Å | |
C06 | H061 | sing | 1.09Å | 1.10Å | |
C06 | H062 | sing | 1.09Å | 1.10Å | |
C07 | H071 | sing | 1.09Å | 1.10Å | |
C07 | H072 | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C12 | H12 | sing | 1.08Å | 1.08Å | |
C20 | H20 | sing | 1.08Å | 1.08Å | |
C19 | H19 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O01 | C02 | N03 | 122.5° | 119.4° |
O01 | C02 | C08 | 119.4° | 119.3° |
N03 | C02 | C08 | 118.0° | 121.3° |
C02 | N03 | C04 | 125.2° | 122.6° |
C02 | N03 | H03 | 117.4° | 118.7° |
C02 | C08 | C07 | 111.5° | 109.0° |
C02 | C08 | N09 | 112.1° | 109.6° |
C02 | C08 | H08 | 107.0° | 109.5° |
N03 | C04 | O05 | 120.3° | 119.4° |
N03 | C04 | C06 | 120.8° | 121.2° |
C04 | N03 | H03 | 117.4° | 118.7° |
O05 | C04 | C06 | 118.9° | 119.4° |
C04 | C06 | C07 | 109.5° | 109.2° |
C04 | C06 | H061 | 109.5° | 109.5° |
C04 | C06 | H062 | 109.4° | 109.5° |
C06 | C07 | C08 | 108.6° | 108.4° |
C07 | C06 | H061 | 109.4° | 109.6° |
C07 | C06 | H062 | 109.4° | 109.6° |
C06 | C07 | H071 | 109.7° | 109.7° |
C06 | C07 | H072 | 109.7° | 109.6° |
C07 | C08 | N09 | 111.7° | 109.5° |
C07 | C08 | H08 | 106.6° | 109.7° |
C08 | C07 | H071 | 109.7° | 109.8° |
C08 | C07 | H072 | 109.7° | 109.5° |
C08 | N09 | C3 | 123.5° | 124.5° |
C08 | N09 | C4 | 126.5° | 124.4° |
N09 | C08 | H08 | 107.6° | 109.5° |
C3 | N09 | C4 | 109.7° | 111.1° |
N09 | C3 | C14 | 110.0° | 108.6° |
N09 | C3 | O18 | 127.0° | 125.7° |
N09 | C4 | C13 | 108.8° | 108.6° |
N09 | C4 | O16 | 128.3° | 125.7° |
C12 | C11 | C20 | 122.2° | 120.5° |
C11 | C12 | C13 | 116.5° | 119.7° |
C12 | C11 | H11 | 118.9° | 119.8° |
C11 | C12 | H12 | 121.7° | 120.2° |
C11 | C20 | C19 | 120.6° | 120.4° |
C20 | C11 | H11 | 118.9° | 119.8° |
C11 | C20 | H20 | 119.7° | 119.7° |
C12 | C13 | C14 | 121.8° | 119.9° |
C12 | C13 | C4 | 132.1° | 134.3° |
C13 | C12 | H12 | 121.8° | 120.1° |
C14 | C13 | C4 | 106.1° | 105.9° |
C13 | C14 | C19 | 121.5° | 119.8° |
C13 | C14 | C3 | 105.3° | 105.9° |
C13 | C4 | O16 | 122.9° | 125.7° |
C19 | C14 | C3 | 133.2° | 134.3° |
C14 | C19 | C20 | 117.4° | 119.8° |
C14 | C19 | H19 | 121.3° | 120.1° |
C14 | C3 | O18 | 123.0° | 125.7° |
C19 | C20 | H20 | 119.7° | 119.8° |
C20 | C19 | H19 | 121.3° | 120.1° |
H061 | C06 | H062 | 109.5° | 109.5° |
H071 | C07 | H072 | 109.5° | 109.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O01 | C02 | N03 | C08 | 176.8° | 179.7° |
O01 | C02 | N03 | C04 | 178.7° | 179.5° |
O01 | C02 | C08 | C07 | 153.0° | 150.8° |
O01 | C02 | C08 | N09 | 27.0° | 31.0° |
O01 | C02 | N03 | H03 | 1.3° | 0.6° |
O01 | C02 | C08 | H08 | 90.8° | 89.2° |
C02 | N03 | C04 | H03 | 180.0° | 179.9° |
C02 | N03 | C04 | O05 | 179.9° | 179.4° |
C02 | N03 | C04 | C06 | 1.0° | 0.5° |
N03 | C02 | C08 | C07 | 30.1° | 29.5° |
N03 | C02 | C08 | N09 | 156.1° | 149.3° |
N03 | C02 | C08 | H08 | 86.1° | 90.6° |
C08 | C02 | N03 | C04 | 1.9° | 0.8° |
C02 | C08 | C07 | C06 | 55.3° | 55.9° |
C02 | C08 | C07 | N09 | 126.2° | 119.8° |
C02 | C08 | C07 | H08 | 116.4° | 119.9° |
C02 | C08 | N09 | H08 | 117.4° | 120.2° |
C02 | C08 | N09 | C3 | 123.8° | 120.0° |
C02 | C08 | N09 | C4 | 48.5° | 59.7° |
C08 | C02 | N03 | H03 | 178.1° | 179.1° |
C02 | C08 | C07 | H071 | 64.6° | 63.9° |
C02 | C08 | C07 | H072 | 175.2° | 175.5° |
N03 | C04 | O05 | C06 | 179.2° | 179.9° |
N03 | C04 | C06 | C07 | 27.8° | 29.1° |
N03 | C04 | C06 | H061 | 147.8° | 149.0° |
N03 | C04 | C06 | H062 | 92.2° | 90.9° |
O05 | C04 | C06 | C07 | 153.1° | 150.9° |
O05 | C04 | N03 | H03 | 0.1° | 0.6° |
O05 | C04 | C06 | H061 | 33.1° | 30.9° |
O05 | C04 | C06 | H062 | 86.9° | 89.2° |
C04 | C06 | C07 | H061 | 120.0° | 119.9° |
C04 | C06 | C07 | H062 | 120.0° | 119.9° |
C04 | C06 | C07 | C08 | 53.2° | 55.7° |
C06 | C04 | N03 | H03 | 179.0° | 179.4° |
C04 | C06 | H061 | H062 | 120.0° | 120.0° |
C04 | C06 | C07 | H071 | 66.7° | 64.1° |
C04 | C06 | C07 | H072 | 173.0° | 175.3° |
C06 | C07 | C08 | H071 | 119.9° | 119.8° |
C06 | C07 | C08 | H072 | 119.9° | 119.6° |
C06 | C07 | C08 | N09 | 178.5° | 175.7° |
C06 | C07 | C08 | H08 | 61.1° | 64.0° |
C07 | C06 | H061 | H062 | 120.0° | 120.2° |
C06 | C07 | H071 | H072 | 120.4° | 120.5° |
C07 | C08 | N09 | H08 | 116.7° | 120.3° |
C07 | C08 | N09 | C3 | 110.3° | 120.5° |
C07 | C08 | N09 | C4 | 77.4° | 59.8° |
C08 | C07 | C06 | H061 | 173.2° | 175.7° |
C08 | C07 | C06 | H062 | 66.8° | 64.2° |
C08 | C07 | H071 | H072 | 120.4° | 120.5° |
C08 | N09 | C3 | C4 | 173.5° | 179.7° |
C08 | N09 | C4 | C13 | 174.8° | 179.9° |
C08 | N09 | C3 | C14 | 175.6° | 180.0° |
C08 | N09 | C4 | O16 | 3.3° | 0.0° |
C08 | N09 | C3 | O18 | 1.9° | 0.1° |
N09 | C08 | C07 | H071 | 61.7° | 56.0° |
N09 | C08 | C07 | H072 | 58.6° | 64.6° |
N09 | C3 | C14 | C13 | 1.8° | 0.2° |
C3 | N09 | C4 | C13 | 1.5° | 0.3° |
N09 | C3 | C14 | C19 | 178.3° | 179.9° |
N09 | C3 | C14 | O18 | 177.5° | 179.9° |
C3 | N09 | C4 | O16 | 176.6° | 179.7° |
C3 | N09 | C08 | H08 | 6.4° | 0.2° |
N09 | C4 | C13 | C12 | 177.7° | 179.9° |
N09 | C4 | C13 | C14 | 0.4° | 0.1° |
N09 | C4 | C13 | O16 | 178.2° | 180.0° |
C4 | N09 | C3 | C14 | 2.1° | 0.3° |
C4 | N09 | C3 | O18 | 175.4° | 179.8° |
C4 | N09 | C08 | H08 | 165.9° | 179.9° |
C12 | C11 | C20 | H11 | 180.0° | 180.0° |
C11 | C12 | C13 | H12 | 180.0° | 179.9° |
C11 | C12 | C13 | C14 | 0.2° | 0.1° |
C11 | C12 | C13 | C4 | 177.6° | 180.0° |
C12 | C11 | C20 | C19 | 2.0° | 0.0° |
C12 | C11 | C20 | H20 | 177.9° | 180.0° |
C20 | C11 | C12 | C13 | 1.7° | 0.0° |
C11 | C20 | C19 | C14 | 0.8° | 0.0° |
C11 | C20 | C19 | H20 | 180.0° | 180.0° |
C20 | C11 | C12 | H12 | 178.3° | 179.9° |
C11 | C20 | C19 | H19 | 179.2° | 180.0° |
C12 | C13 | C14 | C4 | 178.3° | 179.9° |
C12 | C13 | C14 | C19 | 0.9° | 0.0° |
C12 | C13 | C14 | C3 | 179.1° | 179.9° |
C12 | C13 | C4 | O16 | 4.1° | 0.1° |
C13 | C12 | C11 | H11 | 178.3° | 179.9° |
C13 | C14 | C19 | C3 | 179.9° | 179.9° |
C14 | C13 | C4 | O16 | 177.8° | 179.8° |
C13 | C14 | C3 | O18 | 175.8° | 179.9° |
C13 | C14 | C19 | C20 | 0.6° | 0.0° |
C14 | C13 | C12 | H12 | 179.8° | 179.9° |
C13 | C14 | C19 | H19 | 179.4° | 179.9° |
C4 | C13 | C14 | C19 | 179.3° | 180.0° |
C4 | C13 | C14 | C3 | 0.8° | 0.0° |
C4 | C13 | C12 | H12 | 2.4° | 0.1° |
C19 | C14 | C3 | O18 | 4.2° | 0.0° |
C14 | C19 | C20 | H19 | 180.0° | 179.9° |
C14 | C19 | C20 | H20 | 179.2° | 180.0° |
C3 | C14 | C19 | C20 | 179.4° | 179.9° |
C3 | C14 | C19 | H19 | 0.5° | 0.1° |
C19 | C20 | C11 | H11 | 177.9° | 180.0° |
H08 | C08 | C07 | H071 | 179.0° | 176.2° |
H08 | C08 | C07 | H072 | 58.7° | 55.6° |
H061 | C06 | C07 | H071 | 53.3° | 55.8° |
H061 | C06 | C07 | H072 | 67.0° | 64.8° |
H062 | C06 | C07 | H071 | 173.3° | 176.0° |
H062 | C06 | C07 | H072 | 53.0° | 55.4° |
H11 | C11 | C12 | H12 | 1.7° | 0.0° |
H11 | C11 | C20 | H20 | 2.1° | 0.0° |
H20 | C20 | C19 | H19 | 0.9° | 0.0° |