O9G
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
C25 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
C26 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
C01 | C02 | sing | 1.51Å | 1.51Å | |
C21 | S18 | sing | 1.76Å | 1.77Å | |
F04 | C03 | sing | 1.35Å | 1.34Å | |
O19 | S18 | doub | 1.42Å | 1.44Å | |
C02 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
C02 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
C03 | C05 | sing | 1.40Å | 1.38Å | Aromatic |
S18 | O20 | doub | 1.42Å | 1.44Å | |
S18 | N17 | sing | 1.66Å | 1.64Å | |
C08 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
N16 | N17 | sing | 1.40Å | 1.38Å | |
N16 | C14 | sing | 1.35Å | 1.42Å | |
C05 | C14 | sing | 1.48Å | 1.51Å | |
C05 | C06 | doub | 1.40Å | 1.38Å | Aromatic |
C14 | O15 | doub | 1.22Å | 1.21Å | |
C07 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
C07 | N09 | sing | 1.40Å | 1.41Å | |
C10 | N09 | sing | 1.35Å | 1.33Å | Aromatic |
C10 | C11 | doub | 1.35Å | 1.37Å | Aromatic |
N09 | N13 | sing | 1.40Å | 1.35Å | Aromatic |
C11 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
N13 | C12 | doub | 1.31Å | 1.36Å | Aromatic |
C10 | H1 | sing | 1.08Å | 1.08Å | |
C22 | H2 | sing | 1.08Å | 1.08Å | |
C24 | H3 | sing | 1.08Å | 1.08Å | |
C26 | H4 | sing | 1.08Å | 1.08Å | |
C01 | H5 | sing | 1.09Å | 1.10Å | |
C01 | H6 | sing | 1.09Å | 1.10Å | |
C01 | H7 | sing | 1.09Å | 1.10Å | |
C06 | H8 | sing | 1.08Å | 1.08Å | |
C08 | H9 | sing | 1.08Å | 1.08Å | |
C11 | H10 | sing | 1.08Å | 1.08Å | |
C12 | H11 | sing | 1.08Å | 1.08Å | |
C23 | H12 | sing | 1.08Å | 1.08Å | |
C25 | H13 | sing | 1.08Å | 1.08Å | |
N16 | H14 | sing | 0.97Å | 1.00Å | |
N17 | H15 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C23 | C24 | C25 | 120.3° | 119.9° |
C24 | C23 | C22 | 119.9° | 120.0° |
C23 | C24 | H3 | 119.9° | 120.0° |
C24 | C23 | H12 | 120.0° | 119.9° |
C24 | C25 | C26 | 119.8° | 120.1° |
C25 | C24 | H3 | 119.8° | 120.0° |
C24 | C25 | H13 | 120.1° | 120.0° |
C23 | C22 | C21 | 119.8° | 120.0° |
C23 | C22 | H2 | 120.1° | 120.0° |
C22 | C23 | H12 | 120.1° | 120.0° |
C25 | C26 | C21 | 120.0° | 120.0° |
C25 | C26 | H4 | 120.0° | 120.0° |
C26 | C25 | H13 | 120.1° | 120.0° |
C22 | C21 | C26 | 120.2° | 120.0° |
C22 | C21 | S18 | 119.6° | 120.0° |
C21 | C22 | H2 | 120.1° | 120.0° |
C26 | C21 | S18 | 120.2° | 120.0° |
C21 | C26 | H4 | 120.0° | 120.0° |
C01 | C02 | C03 | 120.3° | 119.9° |
C01 | C02 | C08 | 119.8° | 119.9° |
C02 | C01 | H5 | 109.5° | 109.5° |
C02 | C01 | H6 | 109.4° | 109.5° |
C02 | C01 | H7 | 109.4° | 109.4° |
C21 | S18 | O19 | 111.4° | 106.4° |
C21 | S18 | O20 | 112.2° | 106.4° |
C21 | S18 | N17 | 109.0° | 107.2° |
F04 | C03 | C02 | 120.3° | 120.0° |
F04 | C03 | C05 | 119.7° | 120.1° |
O19 | S18 | O20 | 100.7° | 123.2° |
O19 | S18 | N17 | 112.2° | 106.4° |
C03 | C02 | C08 | 120.0° | 120.2° |
C02 | C03 | C05 | 120.0° | 119.9° |
C02 | C08 | C07 | 120.1° | 120.3° |
C02 | C08 | H9 | 120.0° | 119.9° |
C03 | C05 | C14 | 119.0° | 120.1° |
C03 | C05 | C06 | 120.1° | 119.7° |
O20 | S18 | N17 | 111.2° | 106.4° |
S18 | N17 | N16 | 119.4° | 120.0° |
S18 | N17 | H15 | 106.9° | 120.0° |
C08 | C07 | C06 | 120.0° | 120.1° |
C08 | C07 | N09 | 118.9° | 119.9° |
C07 | C08 | H9 | 119.9° | 119.9° |
N17 | N16 | C14 | 121.2° | 120.0° |
N17 | N16 | H14 | 119.4° | 120.1° |
N16 | N17 | H15 | 107.0° | 120.0° |
N16 | C14 | C05 | 118.8° | 120.0° |
N16 | C14 | O15 | 120.7° | 120.0° |
C14 | N16 | H14 | 119.4° | 119.9° |
C14 | C05 | C06 | 120.9° | 120.1° |
C05 | C14 | O15 | 120.5° | 120.0° |
C05 | C06 | C07 | 119.8° | 119.8° |
C05 | C06 | H8 | 120.1° | 120.1° |
C06 | C07 | N09 | 121.2° | 120.0° |
C07 | C06 | H8 | 120.1° | 120.1° |
C07 | N09 | C10 | 123.6° | 126.1° |
C07 | N09 | N13 | 126.1° | 126.0° |
N09 | C10 | C11 | 107.5° | 107.7° |
C10 | N09 | N13 | 110.3° | 107.9° |
N09 | C10 | H1 | 126.2° | 126.1° |
C10 | C11 | C12 | 107.4° | 107.9° |
C11 | C10 | H1 | 126.3° | 126.1° |
C10 | C11 | H10 | 126.3° | 126.1° |
N09 | N13 | C12 | 107.2° | 108.2° |
C11 | C12 | N13 | 107.5° | 108.3° |
C12 | C11 | H10 | 126.3° | 126.0° |
C11 | C12 | H11 | 126.3° | 125.9° |
N13 | C12 | H11 | 126.2° | 125.9° |
H5 | C01 | H6 | 109.4° | 109.5° |
H5 | C01 | H7 | 109.5° | 109.5° |
H6 | C01 | H7 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C23 | C24 | C25 | H3 | 180.0° | 179.7° |
C24 | C23 | C22 | H12 | 180.0° | 179.7° |
C23 | C24 | C25 | C26 | 0.3° | 0.3° |
C24 | C23 | C22 | C21 | 0.0° | 0.0° |
C24 | C23 | C22 | H2 | 180.0° | 180.0° |
C23 | C24 | C25 | H13 | 179.7° | 180.0° |
C25 | C24 | C23 | C22 | 0.3° | 0.3° |
C24 | C25 | C26 | H13 | 180.0° | 179.7° |
C24 | C25 | C26 | C21 | 0.0° | 0.0° |
C24 | C25 | C26 | H4 | 180.0° | 179.9° |
C25 | C24 | C23 | H12 | 179.8° | 180.0° |
C23 | C22 | C21 | H2 | 180.0° | 180.0° |
C23 | C22 | C21 | C26 | 0.3° | 0.3° |
C23 | C22 | C21 | S18 | 179.9° | 180.0° |
C22 | C23 | C24 | H3 | 179.8° | 180.0° |
C25 | C26 | C21 | C22 | 0.3° | 0.3° |
C25 | C26 | C21 | H4 | 180.0° | 180.0° |
C25 | C26 | C21 | S18 | 179.9° | 180.0° |
C26 | C25 | C24 | H3 | 179.7° | 180.0° |
C22 | C21 | C26 | S18 | 179.6° | 179.7° |
C22 | C21 | S18 | O19 | 61.0° | 156.4° |
C22 | C21 | S18 | O20 | 173.0° | 23.5° |
C22 | C21 | S18 | N17 | 63.3° | 90.0° |
C22 | C21 | C26 | H4 | 179.7° | 179.7° |
C21 | C22 | C23 | H12 | 180.0° | 179.6° |
C26 | C21 | S18 | O19 | 119.4° | 23.3° |
C26 | C21 | S18 | O20 | 7.3° | 156.2° |
C26 | C21 | S18 | N17 | 116.3° | 90.3° |
C26 | C21 | C22 | H2 | 179.7° | 179.7° |
C21 | C26 | C25 | H13 | 180.0° | 179.7° |
C01 | C02 | C03 | F04 | 0.3° | 0.0° |
C01 | C02 | C03 | C08 | 179.9° | 179.7° |
C01 | C02 | C03 | C05 | 179.9° | 180.0° |
C01 | C02 | C08 | C07 | 179.9° | 179.7° |
C02 | C01 | H5 | H6 | 120.0° | 120.0° |
C02 | C01 | H5 | H7 | 120.0° | 120.0° |
C02 | C01 | H6 | H7 | 120.0° | 119.9° |
C01 | C02 | C08 | H9 | 0.1° | 0.0° |
C21 | S18 | O19 | O20 | 119.1° | 122.9° |
C21 | S18 | O19 | N17 | 122.5° | 114.1° |
C21 | S18 | O20 | N17 | 122.4° | 114.1° |
C21 | S18 | N17 | N16 | 86.7° | 60.0° |
S18 | C21 | C22 | H2 | 0.1° | 0.0° |
S18 | C21 | C26 | H4 | 0.1° | 0.0° |
C21 | S18 | N17 | H15 | 151.8° | 119.9° |
F04 | C03 | C02 | C05 | 179.7° | 180.0° |
F04 | C03 | C02 | C08 | 179.9° | 179.7° |
F04 | C03 | C05 | C14 | 0.3° | 0.0° |
F04 | C03 | C05 | C06 | 179.9° | 179.9° |
O19 | S18 | O20 | N17 | 119.1° | 123.0° |
O19 | S18 | N17 | N16 | 37.1° | 53.5° |
O19 | S18 | N17 | H15 | 84.3° | 126.5° |
C03 | C02 | C08 | C07 | 0.3° | 0.6° |
C02 | C03 | C05 | C14 | 180.0° | 180.0° |
C02 | C03 | C05 | C06 | 0.2° | 0.0° |
C03 | C02 | C01 | H5 | 90.1° | 90.0° |
C03 | C02 | C01 | H6 | 149.9° | 150.0° |
C03 | C02 | C01 | H7 | 29.9° | 30.0° |
C03 | C02 | C08 | H9 | 179.7° | 179.7° |
C08 | C02 | C03 | C05 | 0.2° | 0.3° |
C02 | C08 | C07 | H9 | 180.0° | 179.7° |
C02 | C08 | C07 | C06 | 0.3° | 0.6° |
C02 | C08 | C07 | N09 | 179.8° | 179.7° |
C08 | C02 | C01 | H5 | 90.0° | 90.3° |
C08 | C02 | C01 | H6 | 29.9° | 29.7° |
C08 | C02 | C01 | H7 | 149.9° | 149.7° |
C03 | C05 | C14 | N16 | 47.8° | 180.0° |
C03 | C05 | C14 | C06 | 179.8° | 179.9° |
C03 | C05 | C14 | O15 | 132.2° | 0.0° |
C03 | C05 | C06 | C07 | 0.3° | 0.0° |
C03 | C05 | C06 | H8 | 179.7° | 180.0° |
O20 | S18 | N17 | N16 | 149.1° | 173.5° |
O20 | S18 | N17 | H15 | 27.6° | 6.4° |
S18 | N17 | N16 | H15 | 121.4° | 179.9° |
S18 | N17 | N16 | C14 | 89.6° | 125.0° |
S18 | N17 | N16 | H14 | 90.4° | 55.0° |
C08 | C07 | C06 | C05 | 0.3° | 0.3° |
C08 | C07 | C06 | N09 | 179.4° | 179.7° |
C08 | C07 | N09 | C10 | 23.8° | 174.7° |
C08 | C07 | N09 | N13 | 156.6° | 5.3° |
C08 | C07 | C06 | H8 | 179.7° | 179.7° |
N17 | N16 | C14 | H14 | 180.0° | 179.9° |
N17 | N16 | C14 | C05 | 179.7° | 180.0° |
N17 | N16 | C14 | O15 | 0.3° | 0.0° |
N16 | C14 | C05 | O15 | 180.0° | 180.0° |
N16 | C14 | C05 | C06 | 132.0° | 0.1° |
C14 | N16 | N17 | H15 | 31.8° | 55.1° |
C14 | C05 | C06 | C07 | 179.9° | 180.0° |
C14 | C05 | C06 | H8 | 0.1° | 0.0° |
C05 | C14 | N16 | H14 | 0.3° | 0.1° |
C06 | C05 | C14 | O15 | 48.0° | 180.0° |
C05 | C06 | C07 | H8 | 180.0° | 180.0° |
C05 | C06 | C07 | N09 | 179.8° | 180.0° |
O15 | C14 | N16 | H14 | 179.7° | 180.0° |
C06 | C07 | N09 | C10 | 155.7° | 5.0° |
C06 | C07 | N09 | N13 | 24.0° | 175.0° |
C06 | C07 | C08 | H9 | 179.7° | 179.7° |
C07 | N09 | C10 | N13 | 179.7° | 180.0° |
C07 | N09 | C10 | C11 | 179.9° | 180.0° |
C07 | N09 | N13 | C12 | 179.9° | 180.0° |
C07 | N09 | C10 | H1 | 0.2° | 0.3° |
N09 | C07 | C06 | H8 | 0.3° | 0.0° |
N09 | C07 | C08 | H9 | 0.3° | 0.0° |
N09 | C10 | C11 | H1 | 180.0° | 179.7° |
N09 | C10 | C11 | C12 | 0.1° | 0.0° |
C10 | N09 | N13 | C12 | 0.2° | 0.0° |
N09 | C10 | C11 | H10 | 180.0° | 180.0° |
C11 | C10 | N09 | N13 | 0.2° | 0.0° |
C10 | C11 | C12 | H10 | 180.0° | 180.0° |
C10 | C11 | C12 | N13 | 0.1° | 0.1° |
C10 | C11 | C12 | H11 | 179.9° | 179.9° |
N09 | N13 | C12 | C11 | 0.2° | 0.0° |
N13 | N09 | C10 | H1 | 179.9° | 179.7° |
N09 | N13 | C12 | H11 | 179.8° | 179.9° |
C11 | C12 | N13 | H11 | 180.0° | 179.9° |
C12 | C11 | C10 | H1 | 180.0° | 179.7° |
N13 | C12 | C11 | H10 | 179.9° | 180.0° |
H1 | C10 | C11 | H10 | 0.0° | 0.3° |
H2 | C22 | C23 | H12 | 0.1° | 0.4° |
H3 | C24 | C23 | H12 | 0.2° | 0.3° |
H3 | C24 | C25 | H13 | 0.2° | 0.3° |
H4 | C26 | C25 | H13 | 0.0° | 0.3° |
H5 | C01 | H6 | H7 | 120.0° | 120.1° |
H10 | C11 | C12 | H11 | 0.1° | 0.1° |
H14 | N16 | N17 | H15 | 148.2° | 124.9° |