GOQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | N | sing | 1.22Å | 1.39Å | |
O5 | C16 | doub | 1.22Å | 1.23Å | |
O6 | C16 | sing | 1.35Å | 1.31Å | |
N | O1 | doub | 1.22Å | 1.39Å | |
N | C8 | sing | 1.48Å | 1.40Å | |
C16 | C11 | sing | 1.47Å | 1.49Å | |
C8 | C9 | doub | 1.35Å | 1.38Å | Aromatic |
C8 | C7 | sing | 1.41Å | 1.50Å | Aromatic |
C11 | C7 | doub | 1.42Å | 1.52Å | Aromatic |
C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
C | O | sing | 1.43Å | 1.43Å | |
C9 | C10 | sing | 1.41Å | 1.40Å | Aromatic |
C7 | C6 | sing | 1.41Å | 1.49Å | Aromatic |
C12 | C13 | doub | 1.39Å | 1.37Å | Aromatic |
O | C1 | sing | 1.36Å | 1.36Å | |
C10 | C1 | doub | 1.41Å | 1.48Å | Aromatic |
C10 | C5 | sing | 1.41Å | 1.46Å | Aromatic |
C6 | C5 | sing | 1.47Å | 1.48Å | Aromatic |
C6 | C14 | doub | 1.40Å | 1.45Å | Aromatic |
C13 | C14 | sing | 1.39Å | 1.44Å | Aromatic |
C13 | O4 | sing | 1.37Å | 1.34Å | |
C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
C14 | O3 | sing | 1.36Å | 1.35Å | |
O4 | C15 | sing | 1.44Å | 1.45Å | |
C2 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
O3 | C15 | sing | 1.44Å | 1.43Å | |
C | H1 | sing | 1.09Å | 1.10Å | |
C | H2 | sing | 1.09Å | 1.10Å | |
C | H3 | sing | 1.09Å | 1.10Å | |
C12 | H4 | sing | 1.08Å | 1.08Å | |
C15 | H5 | sing | 1.09Å | 1.10Å | |
C15 | H6 | sing | 1.09Å | 1.10Å | |
C2 | H7 | sing | 1.08Å | 1.08Å | |
C3 | H8 | sing | 1.08Å | 1.08Å | |
C4 | H9 | sing | 1.08Å | 1.08Å | |
C9 | H10 | sing | 1.08Å | 1.08Å | |
O6 | H11 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | N | O1 | 119.1° | 119.9° |
O2 | N | C8 | 127.4° | 120.0° |
O5 | C16 | O6 | 118.5° | 120.0° |
O5 | C16 | C11 | 117.8° | 120.0° |
O6 | C16 | C11 | 123.4° | 120.0° |
C16 | O6 | H11 | 109.5° | 117.0° |
O1 | N | C8 | 113.0° | 120.0° |
N | C8 | C9 | 116.0° | 119.3° |
N | C8 | C7 | 124.7° | 119.2° |
C16 | C11 | C7 | 125.2° | 120.1° |
C16 | C11 | C12 | 113.1° | 120.2° |
C9 | C8 | C7 | 119.0° | 121.4° |
C8 | C9 | C10 | 125.0° | 121.4° |
C8 | C9 | H10 | 117.5° | 119.3° |
C8 | C7 | C11 | 125.9° | 120.8° |
C8 | C7 | C6 | 116.2° | 120.0° |
C7 | C11 | C12 | 121.7° | 119.7° |
C11 | C7 | C6 | 117.9° | 119.2° |
C11 | C12 | C13 | 119.2° | 120.7° |
C11 | C12 | H4 | 120.4° | 119.7° |
C | O | C1 | 126.3° | 117.0° |
O | C | H1 | 109.5° | 109.5° |
O | C | H2 | 109.4° | 109.5° |
O | C | H3 | 109.4° | 109.5° |
C9 | C10 | C1 | 120.6° | 120.9° |
C9 | C10 | C5 | 121.5° | 119.8° |
C10 | C9 | H10 | 117.5° | 119.3° |
C7 | C6 | C5 | 122.9° | 118.7° |
C7 | C6 | C14 | 116.8° | 120.1° |
C12 | C13 | C14 | 123.7° | 120.5° |
C12 | C13 | O4 | 129.1° | 130.9° |
C13 | C12 | H4 | 120.4° | 119.7° |
O | C1 | C10 | 118.3° | 120.2° |
O | C1 | C2 | 122.3° | 120.2° |
C1 | C10 | C5 | 117.9° | 119.3° |
C10 | C1 | C2 | 119.3° | 119.6° |
C10 | C5 | C6 | 115.4° | 118.7° |
C10 | C5 | C4 | 119.9° | 119.9° |
C5 | C6 | C14 | 120.3° | 121.3° |
C6 | C5 | C4 | 124.7° | 121.4° |
C6 | C14 | C13 | 120.7° | 119.9° |
C6 | C14 | O3 | 129.1° | 131.4° |
C14 | C13 | O4 | 107.1° | 108.6° |
C13 | C14 | O3 | 110.2° | 108.7° |
C13 | O4 | C15 | 105.6° | 105.4° |
C1 | C2 | C3 | 120.3° | 120.7° |
C1 | C2 | H7 | 119.8° | 119.6° |
C5 | C4 | C3 | 120.0° | 119.8° |
C5 | C4 | H9 | 120.0° | 120.1° |
C14 | O3 | C15 | 103.9° | 105.5° |
O4 | C15 | O3 | 106.0° | 103.6° |
O4 | C15 | H5 | 110.3° | 110.6° |
O4 | C15 | H6 | 110.3° | 110.7° |
C2 | C3 | C4 | 122.5° | 120.7° |
C3 | C2 | H7 | 119.8° | 119.7° |
C2 | C3 | H8 | 118.8° | 119.6° |
C4 | C3 | H8 | 118.7° | 119.7° |
C3 | C4 | H9 | 120.0° | 120.1° |
O3 | C15 | H5 | 110.3° | 110.6° |
O3 | C15 | H6 | 110.3° | 110.6° |
H1 | C | H2 | 109.5° | 109.5° |
H1 | C | H3 | 109.5° | 109.4° |
H2 | C | H3 | 109.5° | 109.4° |
H5 | C15 | H6 | 109.5° | 110.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | N | O1 | C8 | 172.8° | 179.8° |
O2 | N | C8 | C9 | 50.1° | 66.1° |
O2 | N | C8 | C7 | 136.8° | 113.9° |
O5 | C16 | O6 | C11 | 173.0° | 180.0° |
O5 | C16 | C11 | C7 | 55.0° | 65.3° |
O5 | C16 | C11 | C12 | 122.2° | 114.6° |
O5 | C16 | O6 | H11 | 0.0° | 0.0° |
O6 | C16 | C11 | C7 | 132.0° | 114.7° |
O6 | C16 | C11 | C12 | 50.8° | 65.4° |
O1 | N | C8 | C9 | 121.9° | 114.1° |
O1 | N | C8 | C7 | 51.1° | 65.9° |
N | C8 | C9 | C7 | 173.5° | 180.0° |
N | C8 | C7 | C11 | 6.5° | 0.1° |
N | C8 | C9 | C10 | 176.1° | 180.0° |
N | C8 | C7 | C6 | 175.0° | 180.0° |
N | C8 | C9 | H10 | 3.9° | 0.0° |
C16 | C11 | C7 | C8 | 1.2° | 0.2° |
C16 | C11 | C7 | C12 | 177.0° | 179.9° |
C16 | C11 | C7 | C6 | 177.3° | 180.0° |
C16 | C11 | C12 | C13 | 177.0° | 179.9° |
C16 | C11 | C12 | H4 | 3.0° | 0.0° |
C11 | C16 | O6 | H11 | 173.0° | 180.0° |
C9 | C8 | C7 | C11 | 179.4° | 179.9° |
C8 | C9 | C10 | H10 | 180.0° | 180.0° |
C9 | C8 | C7 | C6 | 2.1° | 0.0° |
C8 | C9 | C10 | C1 | 177.9° | 180.0° |
C8 | C9 | C10 | C5 | 1.3° | 0.1° |
C8 | C7 | C11 | C6 | 178.4° | 179.9° |
C8 | C7 | C11 | C12 | 178.2° | 179.9° |
C7 | C8 | C9 | C10 | 2.6° | 0.0° |
C8 | C7 | C6 | C5 | 0.7° | 0.1° |
C8 | C7 | C6 | C14 | 177.6° | 180.0° |
C7 | C8 | C9 | H10 | 177.4° | 180.0° |
C7 | C11 | C12 | C13 | 0.3° | 0.0° |
C11 | C7 | C6 | C5 | 179.3° | 180.0° |
C11 | C7 | C6 | C14 | 1.0° | 0.1° |
C7 | C11 | C12 | H4 | 179.7° | 179.9° |
C12 | C11 | C7 | C6 | 0.2° | 0.1° |
C11 | C12 | C13 | H4 | 180.0° | 180.0° |
C11 | C12 | C13 | C14 | 0.1° | 0.0° |
C11 | C12 | C13 | O4 | 177.0° | 179.9° |
C | O | C1 | C10 | 89.1° | 179.7° |
C | O | C1 | C2 | 95.1° | 0.1° |
O | C | H1 | H2 | 120.0° | 120.0° |
O | C | H1 | H3 | 120.0° | 120.0° |
O | C | H2 | H3 | 120.0° | 120.0° |
C9 | C10 | C1 | O | 2.5° | 0.1° |
C9 | C10 | C1 | C5 | 179.2° | 179.9° |
C9 | C10 | C5 | C6 | 0.2° | 0.1° |
C9 | C10 | C1 | C2 | 178.3° | 179.8° |
C9 | C10 | C5 | C4 | 179.5° | 179.9° |
C7 | C6 | C5 | C10 | 0.5° | 0.1° |
C7 | C6 | C5 | C14 | 178.2° | 180.0° |
C7 | C6 | C14 | C13 | 1.3° | 0.1° |
C7 | C6 | C5 | C4 | 179.7° | 180.0° |
C7 | C6 | C14 | O3 | 178.4° | 179.9° |
C12 | C13 | C14 | C6 | 0.8° | 0.1° |
C12 | C13 | C14 | O4 | 177.5° | 180.0° |
C12 | C13 | C14 | O3 | 178.4° | 179.9° |
C12 | C13 | O4 | C15 | 162.0° | 162.7° |
O | C1 | C10 | C2 | 175.9° | 179.6° |
O | C1 | C10 | C5 | 178.3° | 179.9° |
O | C1 | C2 | C3 | 178.2° | 180.0° |
C1 | O | C | H1 | 180.0° | 60.0° |
C1 | O | C | H2 | 60.0° | 60.1° |
C1 | O | C | H3 | 60.0° | 180.0° |
O | C1 | C2 | H7 | 1.8° | 0.1° |
C1 | C10 | C5 | C6 | 179.5° | 179.9° |
C1 | C10 | C5 | C4 | 1.3° | 0.0° |
C10 | C1 | C2 | C3 | 2.5° | 0.3° |
C10 | C1 | C2 | H7 | 177.5° | 179.7° |
C1 | C10 | C9 | H10 | 2.1° | 0.0° |
C10 | C5 | C6 | C4 | 179.2° | 179.9° |
C10 | C5 | C6 | C14 | 178.6° | 179.9° |
C5 | C10 | C1 | C2 | 2.4° | 0.3° |
C10 | C5 | C4 | C3 | 0.3° | 0.2° |
C10 | C5 | C4 | H9 | 179.7° | 180.0° |
C5 | C10 | C9 | H10 | 178.7° | 179.9° |
C5 | C6 | C14 | C13 | 179.6° | 180.0° |
C5 | C6 | C14 | O3 | 3.3° | 0.0° |
C6 | C5 | C4 | C3 | 179.4° | 179.7° |
C6 | C5 | C4 | H9 | 0.6° | 0.1° |
C6 | C14 | C13 | O3 | 177.6° | 180.0° |
C6 | C14 | C13 | O4 | 176.7° | 179.9° |
C14 | C6 | C5 | C4 | 2.2° | 0.0° |
C6 | C14 | O3 | C15 | 160.5° | 162.5° |
C14 | C13 | O4 | C15 | 15.3° | 17.3° |
C13 | C14 | O3 | C15 | 16.8° | 17.5° |
C14 | C13 | C12 | H4 | 179.9° | 179.9° |
O4 | C13 | C14 | O3 | 0.9° | 0.1° |
C13 | O4 | C15 | O3 | 25.8° | 27.2° |
O4 | C13 | C12 | H4 | 3.0° | 0.1° |
C13 | O4 | C15 | H5 | 145.3° | 91.4° |
C13 | O4 | C15 | H6 | 93.6° | 145.8° |
C1 | C2 | C3 | H7 | 180.0° | 180.0° |
C1 | C2 | C3 | C4 | 1.5° | 0.1° |
C1 | C2 | C3 | H8 | 178.5° | 180.0° |
C5 | C4 | C3 | C2 | 0.3° | 0.2° |
C5 | C4 | C3 | H9 | 180.0° | 179.7° |
C5 | C4 | C3 | H8 | 179.7° | 179.7° |
C14 | O3 | C15 | O4 | 25.8° | 27.3° |
C14 | O3 | C15 | H5 | 145.2° | 91.3° |
C14 | O3 | C15 | H6 | 93.7° | 146.0° |
O4 | C15 | O3 | H5 | 119.4° | 118.6° |
O4 | C15 | O3 | H6 | 119.5° | 118.7° |
O4 | C15 | H5 | H6 | 121.6° | 123.0° |
C2 | C3 | C4 | H8 | 180.0° | 179.9° |
C2 | C3 | C4 | H9 | 179.7° | 180.0° |
C4 | C3 | C2 | H7 | 178.5° | 180.0° |
O3 | C15 | H5 | H6 | 121.6° | 122.8° |
H1 | C | H2 | H3 | 120.0° | 120.0° |
H7 | C2 | C3 | H8 | 1.5° | 0.0° |
H8 | C3 | C4 | H9 | 0.3° | 0.0° |