O6O
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
C04 | C03 | sing | 1.39Å | 1.40Å | Aromatic |
O01 | C02 | doub | 1.22Å | 1.21Å | |
C06 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
C03 | C02 | sing | 1.48Å | 1.46Å | |
C03 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
C02 | C27 | sing | 1.41Å | 1.44Å | |
C07 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
C07 | C08 | sing | 1.48Å | 1.48Å | |
C18 | O19 | sing | 1.35Å | 1.37Å | |
C17 | C08 | doub | 1.39Å | 1.41Å | Aromatic |
C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
C27 | C20 | doub | 1.36Å | 1.34Å | |
C08 | C09 | sing | 1.39Å | 1.41Å | Aromatic |
O19 | C20 | sing | 1.34Å | 1.34Å | |
C16 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
C20 | N21 | sing | 1.37Å | 1.41Å | |
N21 | C22 | sing | 1.47Å | 1.45Å | |
N21 | C26 | sing | 1.47Å | 1.49Å | |
C09 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
C11 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
C11 | O12 | sing | 1.36Å | 1.36Å | |
C22 | C23 | sing | 1.53Å | 1.54Å | |
C26 | C25 | sing | 1.53Å | 1.55Å | |
C10 | O15 | sing | 1.36Å | 1.40Å | |
O12 | C13 | sing | 1.43Å | 1.41Å | |
C23 | O24 | sing | 1.43Å | 1.41Å | |
C13 | C14 | sing | 1.54Å | 1.54Å | |
C25 | O24 | sing | 1.43Å | 1.42Å | |
O15 | C14 | sing | 1.43Å | 1.43Å | |
C13 | H1 | sing | 1.09Å | 1.10Å | |
C13 | H2 | sing | 1.09Å | 1.10Å | |
C17 | H3 | sing | 1.08Å | 1.08Å | |
C22 | H4 | sing | 1.09Å | 1.10Å | |
C22 | H5 | sing | 1.09Å | 1.10Å | |
C26 | H6 | sing | 1.09Å | 1.10Å | |
C26 | H7 | sing | 1.09Å | 1.10Å | |
C04 | H8 | sing | 1.08Å | 1.08Å | |
C05 | H9 | sing | 1.08Å | 1.08Å | |
C06 | H10 | sing | 1.08Å | 1.08Å | |
C09 | H11 | sing | 1.08Å | 1.08Å | |
C14 | H12 | sing | 1.09Å | 1.10Å | |
C14 | H13 | sing | 1.09Å | 1.10Å | |
C16 | H14 | sing | 1.08Å | 1.08Å | |
C23 | H15 | sing | 1.09Å | 1.10Å | |
C23 | H16 | sing | 1.09Å | 1.10Å | |
C25 | H17 | sing | 1.09Å | 1.10Å | |
C25 | H18 | sing | 1.09Å | 1.10Å | |
C27 | H19 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C04 | C05 | C06 | 119.9° | 120.4° |
C05 | C04 | C03 | 118.4° | 119.9° |
C05 | C04 | H8 | 120.8° | 120.1° |
C04 | C05 | H9 | 120.1° | 119.8° |
C05 | C06 | C07 | 122.3° | 120.6° |
C06 | C05 | H9 | 120.0° | 119.8° |
C05 | C06 | H10 | 118.8° | 119.7° |
C04 | C03 | C02 | 119.6° | 121.3° |
C04 | C03 | C18 | 121.0° | 120.3° |
C03 | C04 | H8 | 120.8° | 120.1° |
O01 | C02 | C03 | 123.9° | 121.3° |
O01 | C02 | C27 | 121.5° | 121.3° |
C06 | C07 | C18 | 117.0° | 119.7° |
C06 | C07 | C08 | 117.6° | 120.2° |
C07 | C06 | H10 | 118.9° | 119.7° |
C02 | C03 | C18 | 119.5° | 118.4° |
C03 | C02 | C27 | 114.6° | 117.4° |
C03 | C18 | C07 | 121.5° | 119.3° |
C03 | C18 | O19 | 121.7° | 119.8° |
C02 | C27 | C20 | 121.9° | 119.5° |
C02 | C27 | H19 | 119.0° | 120.2° |
C18 | C07 | C08 | 125.4° | 120.1° |
C07 | C18 | O19 | 116.8° | 120.9° |
C07 | C08 | C17 | 122.5° | 120.1° |
C07 | C08 | C09 | 119.4° | 120.1° |
C18 | O19 | C20 | 119.5° | 122.3° |
C08 | C17 | C16 | 120.9° | 120.0° |
C17 | C08 | C09 | 118.0° | 119.8° |
C08 | C17 | H3 | 119.5° | 120.0° |
C17 | C16 | C11 | 120.4° | 120.2° |
C16 | C17 | H3 | 119.5° | 120.0° |
C17 | C16 | H14 | 119.8° | 119.9° |
C27 | C20 | O19 | 122.7° | 122.5° |
C27 | C20 | N21 | 126.1° | 118.7° |
C20 | C27 | H19 | 119.0° | 120.2° |
C08 | C09 | C10 | 121.0° | 120.0° |
C08 | C09 | H11 | 119.5° | 120.0° |
O19 | C20 | N21 | 110.5° | 118.8° |
C16 | C11 | C10 | 119.3° | 120.1° |
C16 | C11 | O12 | 118.4° | 119.2° |
C11 | C16 | H14 | 119.8° | 119.9° |
C20 | N21 | C22 | 125.6° | 120.9° |
C20 | N21 | C26 | 120.8° | 121.0° |
C22 | N21 | C26 | 113.1° | 118.1° |
N21 | C22 | C23 | 105.8° | 108.4° |
N21 | C22 | H4 | 110.4° | 109.7° |
N21 | C22 | H5 | 110.4° | 109.7° |
N21 | C26 | C25 | 108.1° | 108.4° |
N21 | C26 | H6 | 109.9° | 109.7° |
N21 | C26 | H7 | 109.8° | 109.7° |
C09 | C10 | C11 | 120.4° | 119.9° |
C09 | C10 | O15 | 117.9° | 119.3° |
C10 | C09 | H11 | 119.5° | 120.0° |
C10 | C11 | O12 | 122.3° | 120.7° |
C11 | C10 | O15 | 121.7° | 120.8° |
C11 | O12 | C13 | 113.9° | 116.7° |
C22 | C23 | O24 | 110.8° | 109.2° |
C23 | C22 | H4 | 110.4° | 109.6° |
C23 | C22 | H5 | 110.4° | 109.6° |
C22 | C23 | H15 | 109.2° | 109.5° |
C22 | C23 | H16 | 109.2° | 109.5° |
C26 | C25 | O24 | 111.7° | 109.2° |
C25 | C26 | H6 | 109.8° | 109.7° |
C25 | C26 | H7 | 109.8° | 109.7° |
C26 | C25 | H17 | 108.9° | 109.6° |
C26 | C25 | H18 | 108.9° | 109.6° |
C10 | O15 | C14 | 115.3° | 116.7° |
O12 | C13 | C14 | 111.0° | 108.2° |
O12 | C13 | H1 | 109.1° | 110.0° |
O12 | C13 | H2 | 109.1° | 109.6° |
C23 | O24 | C25 | 115.4° | 114.1° |
O24 | C23 | H15 | 109.1° | 109.5° |
O24 | C23 | H16 | 109.1° | 109.5° |
C13 | C14 | O15 | 112.2° | 108.0° |
C14 | C13 | H1 | 109.1° | 109.7° |
C14 | C13 | H2 | 109.1° | 109.7° |
C13 | C14 | H12 | 108.8° | 109.7° |
C13 | C14 | H13 | 108.8° | 109.7° |
O24 | C25 | H17 | 108.9° | 109.5° |
O24 | C25 | H18 | 108.9° | 109.5° |
O15 | C14 | H12 | 108.8° | 109.8° |
O15 | C14 | H13 | 108.8° | 109.8° |
H1 | C13 | H2 | 109.4° | 109.7° |
H4 | C22 | H5 | 109.5° | 109.7° |
H6 | C26 | H7 | 109.5° | 109.7° |
H12 | C14 | H13 | 109.4° | 109.7° |
H15 | C23 | H16 | 109.4° | 109.5° |
H17 | C25 | H18 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C04 | C05 | C06 | H9 | 180.0° | 179.9° |
C05 | C04 | C03 | H8 | 180.0° | 179.9° |
C04 | C05 | C06 | C07 | 0.0° | 0.0° |
C05 | C04 | C03 | C02 | 179.7° | 180.0° |
C05 | C04 | C03 | C18 | 0.3° | 0.2° |
C04 | C05 | C06 | H10 | 180.0° | 180.0° |
C06 | C05 | C04 | C03 | 0.0° | 0.0° |
C05 | C06 | C07 | H10 | 180.0° | 180.0° |
C05 | C06 | C07 | C18 | 0.4° | 0.3° |
C05 | C06 | C07 | C08 | 179.8° | 180.0° |
C06 | C05 | C04 | H8 | 180.0° | 180.0° |
C04 | C03 | C02 | O01 | 0.2° | 0.1° |
C04 | C03 | C02 | C18 | 179.5° | 179.8° |
C04 | C03 | C02 | C27 | 179.7° | 180.0° |
C04 | C03 | C18 | C07 | 0.7° | 0.5° |
C04 | C03 | C18 | O19 | 180.0° | 179.9° |
C03 | C04 | C05 | H9 | 179.9° | 180.0° |
O01 | C02 | C03 | C27 | 179.5° | 179.9° |
O01 | C02 | C03 | C18 | 179.2° | 179.7° |
O01 | C02 | C27 | C20 | 178.8° | 180.0° |
O01 | C02 | C27 | H19 | 1.1° | 0.1° |
C06 | C07 | C18 | C03 | 0.7° | 0.6° |
C06 | C07 | C18 | C08 | 179.8° | 179.7° |
C06 | C07 | C18 | O19 | 179.9° | 179.9° |
C06 | C07 | C08 | C17 | 47.0° | 130.0° |
C06 | C07 | C08 | C09 | 136.2° | 49.6° |
C07 | C06 | C05 | H9 | 180.0° | 179.9° |
C02 | C03 | C18 | C07 | 179.9° | 179.7° |
C02 | C03 | C18 | O19 | 0.6° | 0.3° |
C03 | C02 | C27 | C20 | 0.6° | 0.1° |
C02 | C03 | C04 | H8 | 0.3° | 0.1° |
C03 | C02 | C27 | H19 | 179.4° | 180.0° |
C18 | C03 | C02 | C27 | 0.3° | 0.2° |
C03 | C18 | C07 | O19 | 179.4° | 179.4° |
C03 | C18 | C07 | C08 | 179.5° | 179.8° |
C03 | C18 | O19 | C20 | 1.2° | 0.1° |
C18 | C03 | C04 | H8 | 179.7° | 179.7° |
C02 | C27 | C20 | H19 | 180.0° | 179.9° |
C02 | C27 | C20 | O19 | 1.4° | 0.4° |
C02 | C27 | C20 | N21 | 170.7° | 180.0° |
C18 | C07 | C08 | C17 | 132.8° | 50.3° |
C18 | C07 | C08 | C09 | 44.0° | 130.0° |
C07 | C18 | O19 | C20 | 179.5° | 179.4° |
C18 | C07 | C06 | H10 | 179.6° | 179.7° |
C08 | C07 | C18 | O19 | 0.1° | 0.4° |
C07 | C08 | C17 | C09 | 176.8° | 179.7° |
C07 | C08 | C17 | C16 | 178.5° | 179.9° |
C07 | C08 | C09 | C10 | 177.9° | 179.7° |
C07 | C08 | C17 | H3 | 1.4° | 0.4° |
C08 | C07 | C06 | H10 | 0.2° | 0.0° |
C07 | C08 | C09 | H11 | 2.1° | 0.4° |
C18 | O19 | C20 | C27 | 1.6° | 0.3° |
C18 | O19 | C20 | N21 | 172.4° | 179.9° |
C08 | C17 | C16 | H3 | 180.0° | 179.8° |
C08 | C17 | C16 | C11 | 1.5° | 0.2° |
C17 | C08 | C09 | C10 | 0.9° | 0.1° |
C17 | C08 | C09 | H11 | 179.0° | 180.0° |
C08 | C17 | C16 | H14 | 178.5° | 180.0° |
C16 | C17 | C08 | C09 | 1.7° | 0.2° |
C17 | C16 | C11 | H14 | 180.0° | 179.8° |
C17 | C16 | C11 | C10 | 0.5° | 0.1° |
C17 | C16 | C11 | O12 | 179.3° | 179.8° |
C27 | C20 | O19 | N21 | 170.8° | 179.6° |
C27 | C20 | N21 | C22 | 1.1° | 148.1° |
C27 | C20 | N21 | C26 | 173.1° | 31.9° |
C08 | C09 | C10 | H11 | 180.0° | 179.9° |
C08 | C09 | C10 | C11 | 0.0° | 0.1° |
C08 | C09 | C10 | O15 | 179.9° | 179.9° |
C09 | C08 | C17 | H3 | 178.3° | 180.0° |
O19 | C20 | N21 | C22 | 169.4° | 32.3° |
O19 | C20 | N21 | C26 | 2.6° | 147.8° |
O19 | C20 | C27 | H19 | 178.7° | 179.8° |
C16 | C11 | C10 | C09 | 0.2° | 0.1° |
C16 | C11 | C10 | O12 | 179.8° | 179.9° |
C16 | C11 | C10 | O15 | 179.9° | 179.9° |
C16 | C11 | O12 | C13 | 157.3° | 163.0° |
C11 | C16 | C17 | H3 | 178.5° | 180.0° |
C20 | N21 | C22 | C26 | 172.6° | 179.9° |
C20 | N21 | C22 | C23 | 110.5° | 129.5° |
C20 | N21 | C26 | C25 | 114.9° | 129.5° |
C20 | N21 | C22 | H4 | 8.9° | 110.8° |
C20 | N21 | C22 | H5 | 130.1° | 9.8° |
C20 | N21 | C26 | H6 | 125.3° | 9.8° |
C20 | N21 | C26 | H7 | 4.9° | 110.8° |
N21 | C20 | C27 | H19 | 9.3° | 0.1° |
N21 | C22 | C23 | H4 | 119.4° | 119.7° |
N21 | C22 | C23 | H5 | 119.4° | 119.8° |
C22 | N21 | C26 | C25 | 58.1° | 50.6° |
N21 | C22 | C23 | O24 | 59.1° | 52.3° |
N21 | C22 | H4 | H5 | 121.7° | 120.7° |
C22 | N21 | C26 | H6 | 61.7° | 170.2° |
C22 | N21 | C26 | H7 | 177.9° | 69.1° |
N21 | C22 | C23 | H15 | 61.1° | 67.7° |
N21 | C22 | C23 | H16 | 179.3° | 172.2° |
C26 | N21 | C22 | C23 | 62.0° | 50.6° |
N21 | C26 | C25 | H6 | 119.8° | 119.7° |
N21 | C26 | C25 | H7 | 119.8° | 119.8° |
N21 | C26 | C25 | O24 | 49.6° | 52.3° |
C26 | N21 | C22 | H4 | 178.6° | 69.1° |
C26 | N21 | C22 | H5 | 57.4° | 170.2° |
N21 | C26 | H6 | H7 | 120.7° | 120.6° |
N21 | C26 | C25 | H17 | 170.0° | 172.2° |
N21 | C26 | C25 | H18 | 70.7° | 67.6° |
C09 | C10 | C11 | O15 | 179.8° | 179.8° |
C09 | C10 | C11 | O12 | 180.0° | 180.0° |
C09 | C10 | O15 | C14 | 172.9° | 162.7° |
C10 | C11 | O12 | C13 | 22.5° | 17.2° |
C11 | C10 | O15 | C14 | 7.0° | 17.5° |
C11 | C10 | C09 | H11 | 180.0° | 179.8° |
C10 | C11 | C16 | H14 | 179.5° | 179.9° |
O12 | C11 | C10 | O15 | 0.1° | 0.3° |
C11 | O12 | C13 | C14 | 48.4° | 46.4° |
C11 | O12 | C13 | H1 | 71.9° | 73.4° |
C11 | O12 | C13 | H2 | 168.6° | 165.9° |
O12 | C11 | C16 | H14 | 0.7° | 0.0° |
C22 | C23 | O24 | H15 | 120.2° | 120.0° |
C22 | C23 | O24 | H16 | 120.2° | 119.9° |
C22 | C23 | O24 | C25 | 57.1° | 62.6° |
C23 | C22 | H4 | H5 | 121.7° | 120.5° |
C22 | C23 | H15 | H16 | 119.4° | 120.1° |
C26 | C25 | O24 | C23 | 52.2° | 62.6° |
C26 | C25 | O24 | H17 | 120.4° | 119.9° |
C26 | C25 | O24 | H18 | 120.3° | 120.0° |
C25 | C26 | H6 | H7 | 120.6° | 120.5° |
C26 | C25 | H17 | H18 | 119.0° | 120.2° |
C10 | O15 | C14 | C13 | 33.4° | 46.6° |
O15 | C10 | C09 | H11 | 0.1° | 0.0° |
C10 | O15 | C14 | H12 | 153.8° | 73.0° |
C10 | O15 | C14 | H13 | 87.0° | 166.2° |
O12 | C13 | C14 | H1 | 120.2° | 120.0° |
O12 | C13 | C14 | H2 | 120.3° | 119.5° |
O12 | C13 | C14 | O15 | 55.3° | 60.1° |
O12 | C13 | H1 | H2 | 119.3° | 120.6° |
O12 | C13 | C14 | H12 | 175.7° | 59.6° |
O12 | C13 | C14 | H13 | 65.2° | 179.8° |
O24 | C23 | C22 | H4 | 178.5° | 67.4° |
O24 | C23 | C22 | H5 | 60.4° | 172.1° |
O24 | C23 | H15 | H16 | 119.4° | 120.1° |
C23 | O24 | C25 | H17 | 172.5° | 177.4° |
C23 | O24 | C25 | H18 | 68.2° | 57.4° |
C13 | C14 | O15 | H12 | 120.4° | 119.6° |
C13 | C14 | O15 | H13 | 120.4° | 119.6° |
C14 | C13 | H1 | H2 | 119.3° | 120.5° |
C13 | C14 | H12 | H13 | 118.7° | 120.6° |
O24 | C25 | C26 | H6 | 70.2° | 172.0° |
O24 | C25 | C26 | H7 | 169.4° | 67.4° |
C25 | O24 | C23 | H15 | 63.2° | 57.4° |
C25 | O24 | C23 | H16 | 177.3° | 177.5° |
O24 | C25 | H17 | H18 | 118.9° | 120.0° |
O15 | C14 | C13 | H1 | 65.0° | 59.9° |
O15 | C14 | C13 | H2 | 175.5° | 179.6° |
O15 | C14 | H12 | H13 | 118.8° | 120.8° |
H1 | C13 | C14 | H12 | 55.5° | 179.6° |
H1 | C13 | C14 | H13 | 174.6° | 59.8° |
H2 | C13 | C14 | H12 | 64.0° | 59.9° |
H2 | C13 | C14 | H13 | 55.1° | 60.7° |
H3 | C17 | C16 | H14 | 1.5° | 0.2° |
H4 | C22 | C23 | H15 | 58.3° | 172.6° |
H4 | C22 | C23 | H16 | 61.3° | 52.5° |
H5 | C22 | C23 | H15 | 179.4° | 52.1° |
H5 | C22 | C23 | H16 | 59.8° | 68.0° |
H6 | C26 | C25 | H17 | 50.2° | 68.1° |
H6 | C26 | C25 | H18 | 169.5° | 52.1° |
H7 | C26 | C25 | H17 | 70.2° | 52.5° |
H7 | C26 | C25 | H18 | 49.1° | 172.6° |
H8 | C04 | C05 | H9 | 0.1° | 0.1° |
H9 | C05 | C06 | H10 | 0.0° | 0.1° |