EYA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C7 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
C6 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
C5 | C10 | sing | 1.41Å | 1.39Å | Aromatic |
C5 | N1 | sing | 1.36Å | 1.39Å | |
C10 | C11 | sing | 1.47Å | 1.43Å | |
N1 | C1 | doub | 1.30Å | 1.29Å | |
C11 | O2 | doub | 1.22Å | 1.21Å | |
C11 | N | sing | 1.35Å | 1.40Å | |
O1 | C4 | doub | 1.21Å | 1.24Å | |
C1 | N | sing | 1.36Å | 1.40Å | |
C1 | C2 | sing | 1.51Å | 1.49Å | |
N | C | sing | 1.46Å | 1.45Å | |
C3 | C4 | sing | 1.51Å | 1.51Å | |
C3 | C2 | sing | 1.53Å | 1.52Å | |
C4 | O | sing | 1.34Å | 1.33Å | |
C2 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H4 | sing | 1.09Å | 1.10Å | |
C6 | H5 | sing | 1.08Å | 1.08Å | |
C7 | H6 | sing | 1.08Å | 1.08Å | |
C8 | H7 | sing | 1.08Å | 1.08Å | |
C | H8 | sing | 1.09Å | 1.10Å | |
C | H9 | sing | 1.09Å | 1.10Å | |
C | H10 | sing | 1.09Å | 1.10Å | |
O | H11 | sing | 0.97Å | 0.95Å | |
C9 | H12 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C8 | C7 | C6 | 120.3° | 120.8° |
C7 | C8 | C9 | 120.7° | 120.6° |
C8 | C7 | H6 | 119.9° | 119.6° |
C7 | C8 | H7 | 119.7° | 119.7° |
C7 | C6 | C5 | 119.8° | 119.7° |
C7 | C6 | H5 | 120.1° | 120.2° |
C6 | C7 | H6 | 119.8° | 119.6° |
C8 | C9 | C10 | 119.6° | 119.5° |
C9 | C8 | H7 | 119.7° | 119.7° |
C8 | C9 | H12 | 120.2° | 120.3° |
C6 | C5 | C10 | 119.7° | 119.3° |
C6 | C5 | N1 | 118.4° | 121.6° |
C5 | C6 | H5 | 120.1° | 120.2° |
C9 | C10 | C5 | 120.0° | 120.1° |
C9 | C10 | C11 | 120.9° | 122.0° |
C10 | C9 | H12 | 120.2° | 120.2° |
C10 | C5 | N1 | 121.9° | 119.0° |
C5 | C10 | C11 | 119.1° | 118.0° |
C5 | N1 | C1 | 118.5° | 121.6° |
C10 | C11 | O2 | 123.3° | 121.3° |
C10 | C11 | N | 115.9° | 117.4° |
N1 | C1 | N | 123.6° | 123.4° |
N1 | C1 | C2 | 117.4° | 118.3° |
O2 | C11 | N | 120.8° | 121.3° |
C11 | N | C1 | 120.9° | 120.6° |
C11 | N | C | 118.3° | 119.7° |
O1 | C4 | C3 | 120.9° | 120.0° |
O1 | C4 | O | 125.3° | 120.0° |
N | C1 | C2 | 119.0° | 118.4° |
C1 | N | C | 120.8° | 119.7° |
C1 | C2 | C3 | 113.1° | 109.5° |
C1 | C2 | H1 | 108.6° | 109.5° |
C1 | C2 | H2 | 108.6° | 109.5° |
N | C | H8 | 109.5° | 109.4° |
N | C | H9 | 109.5° | 109.5° |
N | C | H10 | 109.5° | 109.5° |
C4 | C3 | C2 | 117.5° | 109.5° |
C3 | C4 | O | 113.7° | 120.0° |
C4 | C3 | H3 | 107.4° | 109.5° |
C4 | C3 | H4 | 107.4° | 109.5° |
C3 | C2 | H1 | 108.6° | 109.5° |
C3 | C2 | H2 | 108.6° | 109.5° |
C2 | C3 | H3 | 107.4° | 109.4° |
C2 | C3 | H4 | 107.4° | 109.5° |
C4 | O | H11 | 109.5° | 117.1° |
H1 | C2 | H2 | 109.4° | 109.4° |
H3 | C3 | H4 | 109.5° | 109.5° |
H8 | C | H9 | 109.5° | 109.5° |
H8 | C | H10 | 109.4° | 109.4° |
H9 | C | H10 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C8 | C7 | C6 | H6 | 180.0° | 177.8° |
C7 | C8 | C9 | H7 | 180.0° | 177.7° |
C8 | C7 | C6 | C5 | 0.4° | 1.5° |
C7 | C8 | C9 | C10 | 0.8° | 1.5° |
C8 | C7 | C6 | H5 | 179.6° | 178.5° |
C7 | C8 | C9 | H12 | 179.2° | 178.5° |
C6 | C7 | C8 | C9 | 0.8° | 2.3° |
C7 | C6 | C5 | H5 | 180.0° | 180.0° |
C7 | C6 | C5 | C10 | 0.1° | 0.0° |
C7 | C6 | C5 | N1 | 179.5° | 179.2° |
C6 | C7 | C8 | H7 | 179.1° | 180.0° |
C8 | C9 | C10 | H12 | 180.0° | 180.0° |
C8 | C9 | C10 | C5 | 0.3° | 0.0° |
C8 | C9 | C10 | C11 | 179.0° | 179.2° |
C9 | C8 | C7 | H6 | 179.2° | 180.0° |
C6 | C5 | C10 | C9 | 0.1° | 0.8° |
C6 | C5 | C10 | N1 | 179.4° | 179.2° |
C6 | C5 | C10 | C11 | 179.5° | 180.0° |
C6 | C5 | N1 | C1 | 178.5° | 179.7° |
C5 | C6 | C7 | H6 | 179.6° | 179.2° |
C9 | C10 | C5 | C11 | 179.4° | 179.2° |
C9 | C10 | C5 | N1 | 179.6° | 180.0° |
C9 | C10 | C11 | O2 | 4.2° | 0.3° |
C9 | C10 | C11 | N | 178.2° | 179.7° |
C10 | C9 | C8 | H7 | 179.2° | 179.2° |
C10 | C5 | N1 | C1 | 2.1° | 0.5° |
C5 | C10 | C11 | O2 | 176.4° | 179.5° |
C5 | C10 | C11 | N | 1.2° | 0.5° |
C10 | C5 | C6 | H5 | 179.9° | 180.0° |
C5 | C10 | C9 | H12 | 179.7° | 180.0° |
N1 | C5 | C10 | C11 | 1.1° | 0.8° |
C5 | N1 | C1 | N | 0.7° | 0.0° |
C5 | N1 | C1 | C2 | 179.7° | 179.7° |
N1 | C5 | C6 | H5 | 0.4° | 0.8° |
C10 | C11 | O2 | N | 177.5° | 180.0° |
C10 | C11 | N | C1 | 2.5° | 0.0° |
C10 | C11 | N | C | 177.8° | 180.0° |
C11 | C10 | C9 | H12 | 1.0° | 0.8° |
N1 | C1 | N | C11 | 1.6° | 0.3° |
N1 | C1 | N | C2 | 179.0° | 179.7° |
N1 | C1 | N | C | 178.7° | 179.7° |
N1 | C1 | C2 | C3 | 0.0° | 0.3° |
N1 | C1 | C2 | H1 | 120.6° | 120.3° |
N1 | C1 | C2 | H2 | 120.5° | 119.8° |
O2 | C11 | N | C1 | 175.2° | 180.0° |
O2 | C11 | N | C | 4.5° | 0.0° |
C11 | N | C1 | C | 179.7° | 180.0° |
C11 | N | C1 | C2 | 177.4° | 180.0° |
C11 | N | C | H8 | 180.0° | 90.0° |
C11 | N | C | H9 | 60.0° | 30.0° |
C11 | N | C | H10 | 60.0° | 150.0° |
O1 | C4 | C3 | O | 176.4° | 180.0° |
O1 | C4 | C3 | C2 | 148.6° | 0.0° |
O1 | C4 | C3 | H3 | 27.5° | 119.9° |
O1 | C4 | C3 | H4 | 90.2° | 120.0° |
O1 | C4 | O | H11 | 0.0° | 0.1° |
N | C1 | C2 | C3 | 179.0° | 180.0° |
N | C1 | C2 | H1 | 58.5° | 60.0° |
N | C1 | C2 | H2 | 60.4° | 60.0° |
C1 | N | C | H8 | 0.4° | 90.0° |
C1 | N | C | H9 | 119.7° | 150.0° |
C1 | N | C | H10 | 120.3° | 29.9° |
C2 | C1 | N | C | 2.3° | 0.0° |
C1 | C2 | C3 | C4 | 63.2° | 180.0° |
C1 | C2 | C3 | H1 | 120.6° | 120.0° |
C1 | C2 | C3 | H2 | 120.5° | 120.0° |
C1 | C2 | H1 | H2 | 118.3° | 120.0° |
C1 | C2 | C3 | H3 | 58.0° | 60.0° |
C1 | C2 | C3 | H4 | 175.7° | 60.0° |
N | C | H8 | H9 | 120.0° | 120.0° |
N | C | H8 | H10 | 120.0° | 120.0° |
N | C | H9 | H10 | 120.0° | 120.0° |
C4 | C3 | C2 | H3 | 121.1° | 120.0° |
C4 | C3 | C2 | H4 | 121.2° | 120.0° |
C4 | C3 | C2 | H1 | 57.4° | 60.0° |
C4 | C3 | C2 | H2 | 176.3° | 60.0° |
C4 | C3 | H3 | H4 | 116.3° | 120.1° |
C3 | C4 | O | H11 | 176.2° | 180.0° |
C2 | C3 | C4 | O | 34.9° | 180.0° |
C3 | C2 | H1 | H2 | 118.3° | 120.0° |
C2 | C3 | H3 | H4 | 116.3° | 120.0° |
O | C4 | C3 | H3 | 156.1° | 60.0° |
O | C4 | C3 | H4 | 86.3° | 60.0° |
H1 | C2 | C3 | H3 | 178.5° | 180.0° |
H1 | C2 | C3 | H4 | 63.8° | 60.0° |
H2 | C2 | C3 | H3 | 62.6° | 60.0° |
H2 | C2 | C3 | H4 | 55.1° | 180.0° |
H5 | C6 | C7 | H6 | 0.4° | 0.8° |
H6 | C7 | C8 | H7 | 0.9° | 2.3° |
H7 | C8 | C9 | H12 | 0.8° | 0.8° |
H8 | C | H9 | H10 | 120.0° | 120.0° |