11H
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O20 | S17 | doub | 1.42Å | 1.45Å | |
O18 | S17 | doub | 1.42Å | 1.48Å | |
C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
C14 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
S17 | C15 | sing | 1.76Å | 1.77Å | |
S17 | O19 | sing | 1.52Å | 1.45Å | |
C13 | C12 | sing | 1.39Å | 1.42Å | Aromatic |
C15 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
O22 | C21 | doub | 1.22Å | 1.22Å | |
C12 | C21 | sing | 1.48Å | 1.52Å | |
C12 | C11 | doub | 1.41Å | 1.39Å | Aromatic |
C16 | C11 | sing | 1.39Å | 1.42Å | Aromatic |
C21 | C23 | sing | 1.48Å | 1.52Å | |
C11 | C09 | sing | 1.48Å | 1.52Å | |
C23 | C24 | doub | 1.39Å | 1.41Å | Aromatic |
C23 | C08 | sing | 1.41Å | 1.39Å | Aromatic |
C09 | C08 | sing | 1.48Å | 1.52Å | |
C09 | O10 | doub | 1.21Å | 1.22Å | |
C24 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
C08 | C07 | doub | 1.39Å | 1.43Å | Aromatic |
O03 | S02 | doub | 1.42Å | 1.44Å | |
C05 | S02 | sing | 1.76Å | 1.76Å | |
C05 | C06 | doub | 1.38Å | 1.41Å | Aromatic |
C07 | C06 | sing | 1.39Å | 1.40Å | Aromatic |
S02 | O01 | doub | 1.42Å | 1.47Å | |
S02 | O04 | sing | 1.52Å | 1.44Å | |
C06 | H1 | sing | 1.08Å | 1.08Å | |
C07 | H2 | sing | 1.08Å | 1.08Å | |
C13 | H3 | sing | 1.08Å | 1.08Å | |
C14 | H4 | sing | 1.08Å | 1.08Å | |
C16 | H5 | sing | 1.08Å | 1.08Å | |
C24 | H6 | sing | 1.08Å | 1.08Å | |
O04 | H7 | sing | 0.97Å | 0.95Å | |
O19 | H8 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O20 | S17 | O18 | 112.6° | 123.2° |
O20 | S17 | C15 | 110.5° | 106.4° |
O20 | S17 | O19 | 101.6° | 106.4° |
O18 | S17 | C15 | 111.9° | 106.4° |
O18 | S17 | O19 | 113.0° | 106.4° |
C13 | C14 | C15 | 119.3° | 120.4° |
C14 | C13 | C12 | 120.1° | 119.9° |
C14 | C13 | H3 | 120.0° | 120.1° |
C13 | C14 | H4 | 120.4° | 119.8° |
C14 | C15 | S17 | 122.3° | 119.8° |
C14 | C15 | C16 | 120.7° | 120.4° |
C15 | C14 | H4 | 120.3° | 119.8° |
C15 | S17 | O19 | 106.6° | 107.2° |
S17 | C15 | C16 | 117.0° | 119.8° |
S17 | O19 | H8 | 109.5° | 114.0° |
C13 | C12 | C21 | 120.4° | 120.6° |
C13 | C12 | C11 | 120.5° | 119.7° |
C12 | C13 | H3 | 120.0° | 120.1° |
C15 | C16 | C11 | 120.2° | 119.8° |
C15 | C16 | H5 | 119.9° | 120.1° |
O22 | C21 | C12 | 120.6° | 120.4° |
O22 | C21 | C23 | 120.0° | 120.4° |
C21 | C12 | C11 | 119.2° | 119.6° |
C12 | C21 | C23 | 119.4° | 119.2° |
C12 | C11 | C16 | 119.3° | 119.7° |
C12 | C11 | C09 | 121.6° | 119.7° |
C16 | C11 | C09 | 119.1° | 120.6° |
C11 | C16 | H5 | 119.9° | 120.1° |
C21 | C23 | C24 | 118.9° | 120.6° |
C21 | C23 | C08 | 121.5° | 119.7° |
C11 | C09 | C08 | 119.2° | 119.2° |
C11 | C09 | O10 | 120.7° | 120.4° |
C24 | C23 | C08 | 119.7° | 119.7° |
C23 | C24 | C05 | 119.6° | 119.8° |
C23 | C24 | H6 | 120.2° | 120.1° |
C23 | C08 | C09 | 119.2° | 119.7° |
C23 | C08 | C07 | 120.7° | 119.8° |
C08 | C09 | O10 | 120.0° | 120.4° |
C09 | C08 | C07 | 120.1° | 120.6° |
C24 | C05 | S02 | 116.6° | 119.8° |
C24 | C05 | C06 | 121.3° | 120.4° |
C05 | C24 | H6 | 120.2° | 120.1° |
C08 | C07 | C06 | 119.1° | 119.8° |
C08 | C07 | H2 | 120.5° | 120.1° |
O03 | S02 | C05 | 114.7° | 106.4° |
O03 | S02 | O01 | 107.5° | 123.1° |
O03 | S02 | O04 | 106.9° | 106.4° |
S02 | C05 | C06 | 122.0° | 119.8° |
C05 | S02 | O01 | 103.8° | 106.4° |
C05 | S02 | O04 | 115.9° | 107.3° |
C05 | C06 | C07 | 119.7° | 120.5° |
C05 | C06 | H1 | 120.1° | 119.7° |
C07 | C06 | H1 | 120.2° | 119.8° |
C06 | C07 | H2 | 120.4° | 120.2° |
O01 | S02 | O04 | 107.5° | 106.4° |
S02 | O04 | H7 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O20 | S17 | O18 | C15 | 125.2° | 123.0° |
O20 | S17 | O18 | O19 | 114.4° | 122.9° |
O20 | S17 | C15 | C14 | 26.6° | 156.5° |
O20 | S17 | C15 | O19 | 109.6° | 113.5° |
O20 | S17 | C15 | C16 | 151.6° | 23.5° |
O20 | S17 | O19 | H8 | 0.0° | 66.5° |
O18 | S17 | C15 | C14 | 99.7° | 23.6° |
O18 | S17 | C15 | O19 | 124.1° | 113.5° |
O18 | S17 | C15 | C16 | 82.1° | 156.5° |
O18 | S17 | O19 | H8 | 120.9° | 66.4° |
C13 | C14 | C15 | H4 | 180.0° | 179.9° |
C13 | C14 | C15 | S17 | 178.4° | 180.0° |
C14 | C13 | C12 | H3 | 180.0° | 180.0° |
C13 | C14 | C15 | C16 | 0.4° | 0.0° |
C14 | C13 | C12 | C21 | 179.7° | 180.0° |
C14 | C13 | C12 | C11 | 0.1° | 0.0° |
C14 | C15 | S17 | C16 | 178.1° | 180.0° |
C14 | C15 | S17 | O19 | 136.2° | 90.0° |
C15 | C14 | C13 | C12 | 0.1° | 0.0° |
C14 | C15 | C16 | C11 | 0.5° | 0.1° |
C15 | C14 | C13 | H3 | 180.0° | 180.0° |
C14 | C15 | C16 | H5 | 179.6° | 180.0° |
S17 | C15 | C16 | C11 | 178.6° | 179.9° |
S17 | C15 | C14 | H4 | 1.6° | 0.0° |
S17 | C15 | C16 | H5 | 1.4° | 0.0° |
C15 | S17 | O19 | H8 | 115.8° | 180.0° |
O19 | S17 | C15 | C16 | 42.0° | 90.0° |
C13 | C12 | C21 | O22 | 0.2° | 13.8° |
C13 | C12 | C21 | C11 | 179.9° | 179.9° |
C13 | C12 | C11 | C16 | 0.0° | 0.1° |
C13 | C12 | C21 | C23 | 179.7° | 166.2° |
C13 | C12 | C11 | C09 | 179.9° | 179.9° |
C12 | C13 | C14 | H4 | 179.9° | 180.0° |
C15 | C16 | C11 | C12 | 0.3° | 0.1° |
C15 | C16 | C11 | H5 | 180.0° | 179.9° |
C15 | C16 | C11 | C09 | 179.8° | 179.9° |
C16 | C15 | C14 | H4 | 179.7° | 180.0° |
O22 | C21 | C12 | C23 | 179.5° | 180.0° |
O22 | C21 | C12 | C11 | 179.9° | 166.3° |
O22 | C21 | C23 | C24 | 0.1° | 14.1° |
O22 | C21 | C23 | C08 | 179.9° | 166.2° |
C21 | C12 | C11 | C16 | 179.8° | 180.0° |
C21 | C12 | C11 | C09 | 0.2° | 0.0° |
C12 | C21 | C23 | C24 | 179.4° | 166.0° |
C12 | C21 | C23 | C08 | 0.4° | 13.7° |
C21 | C12 | C13 | H3 | 0.3° | 0.1° |
C12 | C11 | C16 | C09 | 179.9° | 180.0° |
C11 | C12 | C21 | C23 | 0.5° | 13.7° |
C12 | C11 | C09 | C08 | 0.1° | 13.7° |
C12 | C11 | C09 | O10 | 179.9° | 166.3° |
C11 | C12 | C13 | H3 | 179.9° | 180.0° |
C12 | C11 | C16 | H5 | 179.8° | 180.0° |
C16 | C11 | C09 | C08 | 179.9° | 166.3° |
C16 | C11 | C09 | O10 | 0.1° | 13.7° |
C21 | C23 | C24 | C08 | 179.8° | 179.7° |
C21 | C23 | C08 | C09 | 0.1° | 0.0° |
C21 | C23 | C24 | C05 | 179.7° | 179.8° |
C21 | C23 | C08 | C07 | 179.9° | 180.0° |
C21 | C23 | C24 | H6 | 0.3° | 0.0° |
C11 | C09 | C08 | C23 | 0.1° | 13.7° |
C11 | C09 | C08 | O10 | 179.8° | 180.0° |
C11 | C09 | C08 | C07 | 179.7° | 166.3° |
C09 | C11 | C16 | H5 | 0.2° | 0.0° |
C24 | C23 | C08 | C09 | 179.7° | 179.7° |
C23 | C24 | C05 | H6 | 180.0° | 179.8° |
C24 | C23 | C08 | C07 | 0.1° | 0.3° |
C23 | C24 | C05 | S02 | 176.8° | 179.8° |
C23 | C24 | C05 | C06 | 0.8° | 0.4° |
C23 | C08 | C09 | C07 | 179.8° | 180.0° |
C23 | C08 | C09 | O10 | 179.9° | 166.3° |
C08 | C23 | C24 | C05 | 0.4° | 0.5° |
C23 | C08 | C07 | C06 | 0.1° | 0.0° |
C23 | C08 | C07 | H2 | 179.9° | 180.0° |
C08 | C23 | C24 | H6 | 179.5° | 179.7° |
C09 | C08 | C07 | C06 | 179.7° | 180.0° |
C09 | C08 | C07 | H2 | 0.3° | 0.1° |
O10 | C09 | C08 | C07 | 0.2° | 13.7° |
C24 | C05 | S02 | O03 | 36.6° | 23.3° |
C24 | C05 | S02 | C06 | 175.9° | 179.8° |
C24 | C05 | C06 | C07 | 0.9° | 0.2° |
C24 | C05 | S02 | O01 | 80.4° | 156.2° |
C24 | C05 | S02 | O04 | 162.0° | 90.2° |
C24 | C05 | C06 | H1 | 179.1° | 179.8° |
C08 | C07 | C06 | C05 | 0.5° | 0.0° |
C08 | C07 | C06 | H2 | 180.0° | 180.0° |
C08 | C07 | C06 | H1 | 179.5° | 180.0° |
O03 | S02 | C05 | O01 | 117.0° | 132.9° |
O03 | S02 | C05 | O04 | 125.4° | 113.5° |
O03 | S02 | C05 | C06 | 147.5° | 156.5° |
O03 | S02 | O01 | O04 | 114.8° | 122.9° |
O03 | S02 | O04 | H7 | 0.0° | 66.4° |
S02 | C05 | C06 | C07 | 176.6° | 180.0° |
C05 | S02 | O01 | O04 | 123.3° | 114.1° |
S02 | C05 | C06 | H1 | 3.4° | 0.0° |
S02 | C05 | C24 | H6 | 3.2° | 0.1° |
C05 | S02 | O04 | H7 | 129.3° | 180.0° |
C05 | C06 | C07 | H1 | 180.0° | 180.0° |
C06 | C05 | S02 | O01 | 95.5° | 23.6° |
C06 | C05 | S02 | O04 | 22.1° | 90.0° |
C05 | C06 | C07 | H2 | 179.5° | 180.0° |
C06 | C05 | C24 | H6 | 179.1° | 179.7° |
O01 | S02 | O04 | H7 | 115.2° | 66.4° |
H1 | C06 | C07 | H2 | 0.5° | 0.0° |
H3 | C13 | C14 | H4 | 0.0° | 0.0° |