Q8G
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O12 | C06 | doub | 1.22Å | 1.13Å | |
C06 | C07 | sing | 1.48Å | 1.46Å | |
C06 | O13 | sing | 1.35Å | 1.33Å | |
C11 | C07 | doub | 1.40Å | 1.40Å | Aromatic |
C11 | C09 | sing | 1.36Å | 1.38Å | Aromatic |
C07 | C08 | sing | 1.39Å | 1.38Å | Aromatic |
C09 | C04 | doub | 1.39Å | 1.38Å | Aromatic |
C17 | C18 | sing | 1.53Å | 1.52Å | |
C17 | C14 | sing | 1.53Å | 1.48Å | |
C18 | C16 | sing | 1.53Å | 1.51Å | |
C16 | C15 | sing | 1.53Å | 1.53Å | |
C15 | C10 | sing | 1.53Å | 1.52Å | |
C04 | C05 | sing | 1.41Å | 1.37Å | Aromatic |
C04 | N01 | sing | 1.38Å | 1.37Å | Aromatic |
C08 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
C14 | C10 | sing | 1.53Å | 1.51Å | |
C05 | N03 | sing | 1.36Å | 1.35Å | Aromatic |
C10 | N01 | sing | 1.46Å | 1.41Å | |
N01 | C02 | sing | 1.36Å | 1.34Å | Aromatic |
N03 | C02 | doub | 1.30Å | 1.29Å | Aromatic |
C18 | H1 | sing | 1.09Å | 1.10Å | |
C18 | H2 | sing | 1.09Å | 1.10Å | |
C17 | H3 | sing | 1.09Å | 1.10Å | |
C17 | H4 | sing | 1.09Å | 1.10Å | |
C16 | H5 | sing | 1.09Å | 1.10Å | |
C16 | H6 | sing | 1.09Å | 1.10Å | |
C15 | H7 | sing | 1.09Å | 1.10Å | |
C15 | H8 | sing | 1.09Å | 1.10Å | |
C11 | H9 | sing | 1.08Å | 1.08Å | |
C02 | H10 | sing | 1.08Å | 1.08Å | |
C08 | H11 | sing | 1.08Å | 1.08Å | |
C09 | H12 | sing | 1.08Å | 1.08Å | |
C10 | H13 | sing | 1.09Å | 1.10Å | |
O13 | H14 | sing | 0.97Å | 0.95Å | |
C14 | H15 | sing | 1.09Å | 1.10Å | |
C14 | H16 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O12 | C06 | C07 | 125.2° | 120.0° |
O12 | C06 | O13 | 122.4° | 120.0° |
C07 | C06 | O13 | 111.9° | 120.0° |
C06 | C07 | C11 | 118.6° | 119.9° |
C06 | C07 | C08 | 120.4° | 119.9° |
C06 | O13 | H14 | 109.5° | 117.1° |
C07 | C11 | C09 | 121.7° | 120.5° |
C11 | C07 | C08 | 121.0° | 120.2° |
C07 | C11 | H9 | 119.1° | 119.8° |
C11 | C09 | C04 | 115.7° | 120.1° |
C09 | C11 | H9 | 119.2° | 119.7° |
C11 | C09 | H12 | 122.1° | 120.0° |
C07 | C08 | C05 | 117.8° | 119.5° |
C07 | C08 | H11 | 121.1° | 120.3° |
C09 | C04 | C05 | 124.3° | 120.2° |
C09 | C04 | N01 | 132.6° | 133.8° |
C04 | C09 | H12 | 122.2° | 119.9° |
C18 | C17 | C14 | 108.2° | 109.5° |
C17 | C18 | C16 | 108.9° | 109.4° |
C17 | C18 | H1 | 109.6° | 109.5° |
C17 | C18 | H2 | 109.6° | 109.5° |
C18 | C17 | H3 | 109.8° | 109.5° |
C18 | C17 | H4 | 109.8° | 109.5° |
C17 | C14 | C10 | 106.8° | 109.5° |
C14 | C17 | H3 | 109.8° | 109.5° |
C14 | C17 | H4 | 109.8° | 109.5° |
C17 | C14 | H15 | 110.1° | 109.5° |
C17 | C14 | H16 | 110.1° | 109.5° |
C18 | C16 | C15 | 113.0° | 109.5° |
C16 | C18 | H1 | 109.6° | 109.5° |
C16 | C18 | H2 | 109.6° | 109.5° |
C18 | C16 | H5 | 108.6° | 109.4° |
C18 | C16 | H6 | 108.6° | 109.5° |
C16 | C15 | C10 | 108.5° | 109.5° |
C15 | C16 | H5 | 108.6° | 109.5° |
C15 | C16 | H6 | 108.6° | 109.5° |
C16 | C15 | H7 | 109.7° | 109.5° |
C16 | C15 | H8 | 109.7° | 109.5° |
C15 | C10 | C14 | 116.0° | 109.4° |
C15 | C10 | N01 | 112.4° | 109.5° |
C10 | C15 | H7 | 109.7° | 109.5° |
C10 | C15 | H8 | 109.7° | 109.5° |
C15 | C10 | H13 | 105.5° | 109.5° |
C05 | C04 | N01 | 103.1° | 106.0° |
C04 | C05 | C08 | 119.5° | 119.5° |
C04 | C05 | N03 | 111.2° | 107.0° |
C04 | N01 | C10 | 129.9° | 126.3° |
C04 | N01 | C02 | 109.0° | 107.4° |
C08 | C05 | N03 | 129.3° | 133.5° |
C05 | C08 | H11 | 121.1° | 120.2° |
C14 | C10 | N01 | 109.9° | 109.5° |
C14 | C10 | H13 | 105.6° | 109.5° |
C10 | C14 | H15 | 110.1° | 109.5° |
C10 | C14 | H16 | 110.1° | 109.5° |
C05 | N03 | C02 | 106.1° | 109.5° |
C10 | N01 | C02 | 121.0° | 126.3° |
N01 | C10 | H13 | 106.7° | 109.5° |
N01 | C02 | N03 | 110.6° | 110.2° |
N01 | C02 | H10 | 124.7° | 124.9° |
N03 | C02 | H10 | 124.7° | 124.9° |
H1 | C18 | H2 | 109.5° | 109.5° |
H3 | C17 | H4 | 109.5° | 109.4° |
H5 | C16 | H6 | 109.5° | 109.4° |
H7 | C15 | H8 | 109.5° | 109.4° |
H15 | C14 | H16 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O12 | C06 | C07 | O13 | 172.4° | 179.9° |
O12 | C06 | C07 | C11 | 3.1° | 180.0° |
O12 | C06 | C07 | C08 | 173.8° | 0.2° |
O12 | C06 | O13 | H14 | 0.0° | 0.0° |
C06 | C07 | C11 | C08 | 176.8° | 179.8° |
C06 | C07 | C11 | C09 | 178.4° | 180.0° |
C06 | C07 | C08 | C05 | 177.7° | 179.7° |
C06 | C07 | C11 | H9 | 1.7° | 0.1° |
C06 | C07 | C08 | H11 | 2.3° | 0.3° |
C07 | C06 | O13 | H14 | 172.7° | 180.0° |
O13 | C06 | C07 | C11 | 175.5° | 0.0° |
O13 | C06 | C07 | C08 | 1.4° | 179.9° |
C07 | C11 | C09 | H9 | 180.0° | 179.9° |
C07 | C11 | C09 | C04 | 0.1° | 0.1° |
C11 | C07 | C08 | C05 | 1.0° | 0.1° |
C11 | C07 | C08 | H11 | 179.0° | 179.9° |
C07 | C11 | C09 | H12 | 179.9° | 180.0° |
C09 | C11 | C07 | C08 | 1.5° | 0.1° |
C11 | C09 | C04 | H12 | 180.0° | 179.9° |
C11 | C09 | C04 | C05 | 2.4° | 0.1° |
C11 | C09 | C04 | N01 | 179.1° | 179.9° |
C07 | C08 | C05 | C04 | 1.2° | 0.3° |
C07 | C08 | C05 | H11 | 180.0° | 180.0° |
C07 | C08 | C05 | N03 | 179.7° | 180.0° |
C08 | C07 | C11 | H9 | 178.5° | 179.9° |
C09 | C04 | C05 | N01 | 177.5° | 179.9° |
C09 | C04 | C05 | C08 | 3.0° | 0.3° |
C09 | C04 | C05 | N03 | 178.2° | 179.9° |
C09 | C04 | N01 | C10 | 0.7° | 0.2° |
C09 | C04 | N01 | C02 | 177.4° | 179.9° |
C04 | C09 | C11 | H9 | 179.9° | 179.9° |
C18 | C17 | C14 | H3 | 119.8° | 120.0° |
C18 | C17 | C14 | H4 | 119.8° | 120.0° |
C17 | C18 | C16 | H1 | 119.9° | 120.0° |
C17 | C18 | C16 | H2 | 119.9° | 120.0° |
C17 | C18 | C16 | C15 | 10.8° | 60.0° |
C18 | C17 | C14 | C10 | 61.5° | 60.0° |
C17 | C18 | H1 | H2 | 120.3° | 120.0° |
C18 | C17 | H3 | H4 | 120.6° | 120.0° |
C17 | C18 | C16 | H5 | 109.8° | 180.0° |
C17 | C18 | C16 | H6 | 131.3° | 60.0° |
C18 | C17 | C14 | H15 | 58.1° | 180.0° |
C18 | C17 | C14 | H16 | 178.9° | 60.0° |
C14 | C17 | C18 | C16 | 68.3° | 60.0° |
C17 | C14 | C10 | C15 | 1.2° | 60.0° |
C17 | C14 | C10 | H15 | 119.6° | 120.0° |
C17 | C14 | C10 | H16 | 119.6° | 120.0° |
C17 | C14 | C10 | N01 | 127.7° | 180.0° |
C14 | C17 | C18 | H1 | 171.7° | 60.0° |
C14 | C17 | C18 | H2 | 51.6° | 180.0° |
C14 | C17 | H3 | H4 | 120.5° | 120.0° |
C17 | C14 | C10 | H13 | 117.6° | 60.0° |
C17 | C14 | H15 | H16 | 121.2° | 120.0° |
C18 | C16 | C15 | H5 | 120.5° | 120.0° |
C18 | C16 | C15 | H6 | 120.5° | 120.0° |
C18 | C16 | C15 | C10 | 45.3° | 60.0° |
C16 | C18 | H1 | H2 | 120.3° | 120.1° |
C16 | C18 | C17 | H3 | 171.9° | 60.0° |
C16 | C18 | C17 | H4 | 51.4° | 180.0° |
C18 | C16 | H5 | H6 | 118.4° | 120.0° |
C18 | C16 | C15 | H7 | 74.5° | 60.0° |
C18 | C16 | C15 | H8 | 165.2° | 180.0° |
C16 | C15 | C10 | H7 | 119.9° | 120.0° |
C16 | C15 | C10 | H8 | 119.9° | 120.0° |
C16 | C15 | C10 | C14 | 52.3° | 60.0° |
C16 | C15 | C10 | N01 | 179.9° | 180.0° |
C15 | C16 | C18 | H1 | 130.6° | 60.0° |
C15 | C16 | C18 | H2 | 109.2° | 180.0° |
C15 | C16 | H5 | H6 | 118.4° | 120.0° |
C16 | C15 | H7 | H8 | 120.4° | 120.0° |
C16 | C15 | C10 | H13 | 64.2° | 60.0° |
C15 | C10 | N01 | C04 | 65.2° | 120.0° |
C15 | C10 | C14 | N01 | 128.8° | 120.0° |
C15 | C10 | C14 | H13 | 116.4° | 120.0° |
C15 | C10 | N01 | H13 | 115.2° | 120.0° |
C15 | C10 | N01 | C02 | 117.0° | 59.9° |
C10 | C15 | C16 | H5 | 165.8° | 180.0° |
C10 | C15 | C16 | H6 | 75.2° | 60.0° |
C10 | C15 | H7 | H8 | 120.4° | 120.0° |
C15 | C10 | C14 | H15 | 118.4° | 180.0° |
C15 | C10 | C14 | H16 | 120.8° | 60.0° |
C04 | C05 | C08 | N03 | 178.5° | 179.7° |
C05 | C04 | N01 | C10 | 177.9° | 180.0° |
C05 | C04 | N01 | C02 | 0.2° | 0.1° |
C04 | C05 | N03 | C02 | 1.0° | 0.0° |
C04 | C05 | C08 | H11 | 178.8° | 179.7° |
C05 | C04 | C09 | H12 | 177.6° | 179.8° |
N01 | C04 | C05 | C08 | 179.5° | 179.8° |
C04 | N01 | C10 | C14 | 65.6° | 120.1° |
N01 | C04 | C05 | N03 | 0.7° | 0.0° |
C04 | N01 | C10 | C02 | 177.8° | 179.9° |
C04 | N01 | C02 | N03 | 0.4° | 0.1° |
C04 | N01 | C02 | H10 | 179.6° | 179.9° |
N01 | C04 | C09 | H12 | 0.9° | 0.1° |
C04 | N01 | C10 | H13 | 179.7° | 0.0° |
C08 | C05 | N03 | C02 | 179.6° | 179.7° |
C14 | C10 | N01 | H13 | 114.0° | 120.0° |
C14 | C10 | N01 | C02 | 112.2° | 60.0° |
C10 | C14 | C17 | H3 | 178.7° | 60.0° |
C10 | C14 | C17 | H4 | 58.3° | 180.0° |
C14 | C10 | C15 | H7 | 67.6° | 60.0° |
C14 | C10 | C15 | H8 | 172.1° | 180.0° |
C10 | C14 | H15 | H16 | 121.2° | 120.0° |
C05 | N03 | C02 | N01 | 0.8° | 0.0° |
C05 | N03 | C02 | H10 | 179.2° | 180.0° |
N03 | C05 | C08 | H11 | 0.3° | 0.0° |
C10 | N01 | C02 | N03 | 178.7° | 180.0° |
N01 | C10 | C15 | H7 | 60.1° | 59.9° |
N01 | C10 | C15 | H8 | 60.2° | 60.0° |
C10 | N01 | C02 | H10 | 1.3° | 0.0° |
N01 | C10 | C14 | H15 | 112.8° | 60.0° |
N01 | C10 | C14 | H16 | 8.1° | 60.0° |
N01 | C02 | N03 | H10 | 180.0° | 180.0° |
C02 | N01 | C10 | H13 | 1.8° | 179.9° |
H1 | C18 | C17 | H3 | 51.9° | 180.0° |
H1 | C18 | C17 | H4 | 68.5° | 60.0° |
H1 | C18 | C16 | H5 | 10.1° | 60.1° |
H1 | C18 | C16 | H6 | 108.8° | 180.0° |
H2 | C18 | C17 | H3 | 68.2° | 60.0° |
H2 | C18 | C17 | H4 | 171.3° | 60.0° |
H2 | C18 | C16 | H5 | 130.3° | 60.0° |
H2 | C18 | C16 | H6 | 11.4° | 59.9° |
H3 | C17 | C14 | H15 | 61.8° | 60.0° |
H3 | C17 | C14 | H16 | 59.1° | 179.9° |
H4 | C17 | C14 | H15 | 177.9° | 60.0° |
H4 | C17 | C14 | H16 | 61.2° | 60.0° |
H5 | C16 | C15 | H7 | 46.0° | 60.0° |
H5 | C16 | C15 | H8 | 74.3° | 60.0° |
H6 | C16 | C15 | H7 | 165.0° | 179.9° |
H6 | C16 | C15 | H8 | 44.6° | 60.0° |
H7 | C15 | C10 | H13 | 176.0° | 180.0° |
H8 | C15 | C10 | H13 | 55.7° | 60.0° |
H9 | C11 | C09 | H12 | 0.1° | 0.1° |
H13 | C10 | C14 | H15 | 2.0° | 60.0° |
H13 | C10 | C14 | H16 | 122.9° | 180.0° |