G5O
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
C6 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
C1 | S7 | sing | 1.76Å | 1.81Å | |
O9 | S7 | doub | 1.42Å | 1.46Å | |
O8 | S7 | doub | 1.42Å | 1.46Å | |
S7 | C10 | sing | 1.76Å | 1.81Å | |
C10 | C11 | doub | 1.38Å | 1.52Å | Aromatic |
C10 | C15 | sing | 1.38Å | 1.31Å | Aromatic |
C11 | C12 | sing | 1.38Å | 1.32Å | Aromatic |
C15 | C14 | doub | 1.40Å | 1.52Å | Aromatic |
C12 | C13 | doub | 1.38Å | 1.53Å | Aromatic |
C14 | C13 | sing | 1.40Å | 1.31Å | Aromatic |
C14 | C17 | sing | 1.48Å | 1.52Å | |
C13 | CL1 | sing | 1.74Å | 1.78Å | |
N18 | C17 | sing | 1.35Å | 1.45Å | |
N18 | C20 | sing | 1.39Å | 1.45Å | |
O28 | C26 | doub | 1.21Å | 1.26Å | |
C17 | O19 | doub | 1.22Å | 1.18Å | |
C20 | C25 | doub | 1.39Å | 1.38Å | Aromatic |
C20 | C21 | sing | 1.40Å | 1.38Å | Aromatic |
C25 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
C26 | C21 | sing | 1.47Å | 1.53Å | |
C26 | O27 | sing | 1.35Å | 1.26Å | |
C21 | C22 | doub | 1.40Å | 1.38Å | Aromatic |
C24 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
C2 | H1 | sing | 1.08Å | 1.08Å | |
C3 | H2 | sing | 1.08Å | 1.08Å | |
C4 | H3 | sing | 1.08Å | 1.08Å | |
C11 | H4 | sing | 1.08Å | 1.08Å | |
C12 | H5 | sing | 1.08Å | 1.08Å | |
C15 | H6 | sing | 1.08Å | 1.08Å | |
C24 | H7 | sing | 1.08Å | 1.08Å | |
C25 | H8 | sing | 1.08Å | 1.08Å | |
C22 | H9 | sing | 1.08Å | 1.08Å | |
C23 | H10 | sing | 1.08Å | 1.08Å | |
C5 | H11 | sing | 1.08Å | 1.08Å | |
C6 | H12 | sing | 1.08Å | 1.08Å | |
N18 | H13 | sing | 0.97Å | 1.00Å | |
O27 | H14 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C4 | C5 | C6 | 119.9° | 120.0° |
C5 | C4 | C3 | 120.1° | 120.0° |
C5 | C4 | H3 | 120.0° | 120.0° |
C4 | C5 | H11 | 120.0° | 120.0° |
C5 | C6 | C1 | 119.9° | 120.0° |
C6 | C5 | H11 | 120.1° | 120.0° |
C5 | C6 | H12 | 120.1° | 120.0° |
C4 | C3 | C2 | 119.9° | 120.0° |
C4 | C3 | H2 | 120.1° | 120.0° |
C3 | C4 | H3 | 119.9° | 120.0° |
C6 | C1 | C2 | 120.1° | 120.0° |
C6 | C1 | S7 | 120.4° | 120.0° |
C1 | C6 | H12 | 120.1° | 120.0° |
C3 | C2 | C1 | 120.1° | 120.0° |
C3 | C2 | H1 | 119.9° | 120.0° |
C2 | C3 | H2 | 120.0° | 120.0° |
C2 | C1 | S7 | 119.5° | 120.0° |
C1 | C2 | H1 | 120.0° | 120.0° |
C1 | S7 | O9 | 111.7° | 106.4° |
C1 | S7 | O8 | 111.5° | 106.4° |
C1 | S7 | C10 | 108.8° | 107.2° |
O9 | S7 | O8 | 101.6° | 123.2° |
O9 | S7 | C10 | 111.8° | 106.4° |
O8 | S7 | C10 | 111.3° | 106.4° |
S7 | C10 | C11 | 120.6° | 119.9° |
S7 | C10 | C15 | 119.4° | 119.9° |
C11 | C10 | C15 | 120.0° | 120.2° |
C10 | C11 | C12 | 119.9° | 120.3° |
C10 | C11 | H4 | 120.0° | 119.8° |
C10 | C15 | C14 | 120.2° | 119.8° |
C10 | C15 | H6 | 119.9° | 120.0° |
C11 | C12 | C13 | 120.1° | 120.2° |
C12 | C11 | H4 | 120.1° | 119.9° |
C11 | C12 | H5 | 120.0° | 119.9° |
C15 | C14 | C13 | 120.0° | 119.7° |
C15 | C14 | C17 | 119.4° | 120.1° |
C14 | C15 | H6 | 119.9° | 120.1° |
C12 | C13 | C14 | 119.9° | 119.8° |
C12 | C13 | CL1 | 119.7° | 120.1° |
C13 | C12 | H5 | 120.0° | 119.9° |
C13 | C14 | C17 | 120.7° | 120.2° |
C14 | C13 | CL1 | 120.5° | 120.1° |
C14 | C17 | N18 | 118.7° | 120.0° |
C14 | C17 | O19 | 120.2° | 120.0° |
C17 | N18 | C20 | 121.7° | 120.0° |
N18 | C17 | O19 | 121.2° | 120.0° |
C17 | N18 | H13 | 119.1° | 120.0° |
N18 | C20 | C25 | 120.7° | 120.2° |
N18 | C20 | C21 | 119.3° | 120.2° |
C20 | N18 | H13 | 119.1° | 120.0° |
O28 | C26 | C21 | 119.9° | 120.0° |
O28 | C26 | O27 | 120.1° | 120.0° |
C25 | C20 | C21 | 120.1° | 119.7° |
C20 | C25 | C24 | 120.0° | 120.0° |
C20 | C25 | H8 | 120.0° | 120.0° |
C20 | C21 | C26 | 119.9° | 120.2° |
C20 | C21 | C22 | 120.0° | 119.6° |
C25 | C24 | C23 | 120.0° | 120.4° |
C25 | C24 | H7 | 120.0° | 119.7° |
C24 | C25 | H8 | 120.0° | 120.0° |
C21 | C26 | O27 | 120.0° | 120.0° |
C26 | C21 | C22 | 120.1° | 120.2° |
C26 | O27 | H14 | 109.5° | 117.0° |
C21 | C22 | C23 | 119.9° | 120.0° |
C21 | C22 | H9 | 120.1° | 120.1° |
C24 | C23 | C22 | 120.0° | 120.3° |
C23 | C24 | H7 | 120.0° | 119.8° |
C24 | C23 | H10 | 120.0° | 119.8° |
C23 | C22 | H9 | 120.0° | 120.0° |
C22 | C23 | H10 | 120.0° | 119.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C4 | C5 | C6 | H11 | 180.0° | 179.7° |
C5 | C4 | C3 | H3 | 180.0° | 180.0° |
C4 | C5 | C6 | C1 | 0.2° | 0.6° |
C5 | C4 | C3 | C2 | 0.1° | 0.0° |
C5 | C4 | C3 | H2 | 179.9° | 180.0° |
C4 | C5 | C6 | H12 | 179.8° | 180.0° |
C6 | C5 | C4 | C3 | 0.1° | 0.3° |
C5 | C6 | C1 | H12 | 180.0° | 179.4° |
C5 | C6 | C1 | C2 | 0.3° | 0.6° |
C5 | C6 | C1 | S7 | 179.9° | 179.7° |
C6 | C5 | C4 | H3 | 179.9° | 179.7° |
C4 | C3 | C2 | H2 | 180.0° | 180.0° |
C4 | C3 | C2 | C1 | 0.2° | 0.0° |
C4 | C3 | C2 | H1 | 179.8° | 180.0° |
C3 | C4 | C5 | H11 | 179.9° | 180.0° |
C6 | C1 | C2 | C3 | 0.3° | 0.3° |
C6 | C1 | C2 | S7 | 179.5° | 179.7° |
C6 | C1 | S7 | O9 | 2.6° | 156.2° |
C6 | C1 | S7 | O8 | 110.4° | 23.2° |
C6 | C1 | S7 | C10 | 126.5° | 90.3° |
C6 | C1 | C2 | H1 | 179.7° | 179.7° |
C1 | C6 | C5 | H11 | 179.7° | 179.7° |
C3 | C2 | C1 | H1 | 180.0° | 180.0° |
C3 | C2 | C1 | S7 | 179.8° | 180.0° |
C2 | C3 | C4 | H3 | 180.0° | 180.0° |
C2 | C1 | S7 | O9 | 177.0° | 23.6° |
C2 | C1 | S7 | O8 | 70.1° | 156.5° |
C2 | C1 | S7 | C10 | 53.0° | 90.0° |
C1 | C2 | C3 | H2 | 179.8° | 180.0° |
C2 | C1 | C6 | H12 | 179.7° | 180.0° |
C1 | S7 | O9 | O8 | 119.0° | 122.9° |
C1 | S7 | O9 | C10 | 122.2° | 114.1° |
C1 | S7 | O8 | C10 | 121.8° | 114.0° |
C1 | S7 | C10 | C11 | 81.5° | 90.0° |
C1 | S7 | C10 | C15 | 98.1° | 90.3° |
S7 | C1 | C2 | H1 | 0.2° | 0.0° |
S7 | C1 | C6 | H12 | 0.2° | 0.3° |
O9 | S7 | O8 | C10 | 119.1° | 123.0° |
O9 | S7 | C10 | C11 | 42.3° | 156.4° |
O9 | S7 | C10 | C15 | 138.1° | 23.2° |
O8 | S7 | C10 | C11 | 155.2° | 23.5° |
O8 | S7 | C10 | C15 | 25.2° | 156.2° |
S7 | C10 | C11 | C15 | 179.6° | 179.6° |
S7 | C10 | C11 | C12 | 179.8° | 179.7° |
S7 | C10 | C15 | C14 | 179.7° | 179.7° |
S7 | C10 | C11 | H4 | 0.2° | 0.4° |
S7 | C10 | C15 | H6 | 0.3° | 0.3° |
C10 | C11 | C12 | H4 | 180.0° | 179.9° |
C11 | C10 | C15 | C14 | 0.1° | 0.1° |
C10 | C11 | C12 | C13 | 0.1° | 0.0° |
C10 | C11 | C12 | H5 | 179.9° | 180.0° |
C11 | C10 | C15 | H6 | 179.9° | 180.0° |
C15 | C10 | C11 | C12 | 0.2° | 0.1° |
C10 | C15 | C14 | H6 | 180.0° | 180.0° |
C10 | C15 | C14 | C13 | 0.2° | 0.0° |
C10 | C15 | C14 | C17 | 179.7° | 179.9° |
C15 | C10 | C11 | H4 | 179.8° | 180.0° |
C11 | C12 | C13 | H5 | 180.0° | 180.0° |
C11 | C12 | C13 | C14 | 0.2° | 0.0° |
C11 | C12 | C13 | CL1 | 180.0° | 180.0° |
C15 | C14 | C13 | C12 | 0.4° | 0.0° |
C15 | C14 | C13 | C17 | 179.5° | 179.9° |
C15 | C14 | C13 | CL1 | 179.9° | 180.0° |
C15 | C14 | C17 | N18 | 55.0° | 0.0° |
C15 | C14 | C17 | O19 | 124.9° | 180.0° |
C12 | C13 | C14 | CL1 | 179.8° | 180.0° |
C12 | C13 | C14 | C17 | 179.8° | 180.0° |
C13 | C12 | C11 | H4 | 179.9° | 179.9° |
C13 | C14 | C17 | N18 | 124.4° | 180.0° |
C13 | C14 | C17 | O19 | 55.6° | 0.0° |
C14 | C13 | C12 | H5 | 179.8° | 180.0° |
C13 | C14 | C15 | H6 | 179.8° | 180.0° |
C17 | C14 | C13 | CL1 | 0.4° | 0.0° |
C14 | C17 | N18 | O19 | 179.9° | 180.0° |
C14 | C17 | N18 | C20 | 179.8° | 175.5° |
C17 | C14 | C15 | H6 | 0.3° | 0.0° |
C14 | C17 | N18 | H13 | 0.2° | 4.5° |
CL1 | C13 | C12 | H5 | 0.0° | 0.0° |
C17 | N18 | C20 | H13 | 180.0° | 179.9° |
C17 | N18 | C20 | C25 | 37.2° | 35.2° |
C17 | N18 | C20 | C21 | 143.2° | 144.5° |
C20 | N18 | C17 | O19 | 0.2° | 4.4° |
N18 | C20 | C25 | C21 | 179.6° | 179.8° |
N18 | C20 | C25 | C24 | 179.9° | 179.8° |
N18 | C20 | C21 | C26 | 0.3° | 0.2° |
N18 | C20 | C21 | C22 | 179.8° | 179.7° |
N18 | C20 | C25 | H8 | 0.1° | 0.3° |
O28 | C26 | C21 | C20 | 25.0° | 5.3° |
O28 | C26 | C21 | O27 | 179.9° | 179.9° |
O28 | C26 | C21 | C22 | 155.0° | 174.6° |
O28 | C26 | O27 | H14 | 0.0° | 0.0° |
O19 | C17 | N18 | H13 | 179.8° | 175.5° |
C20 | C25 | C24 | H8 | 180.0° | 180.0° |
C25 | C20 | C21 | C26 | 179.8° | 179.9° |
C25 | C20 | C21 | C22 | 0.2° | 0.0° |
C20 | C25 | C24 | C23 | 0.2° | 0.1° |
C20 | C25 | C24 | H7 | 179.8° | 180.0° |
C25 | C20 | N18 | H13 | 142.7° | 144.7° |
C21 | C20 | C25 | C24 | 0.3° | 0.0° |
C20 | C21 | C26 | C22 | 180.0° | 179.9° |
C20 | C21 | C26 | O27 | 155.1° | 174.6° |
C20 | C21 | C22 | C23 | 0.0° | 0.0° |
C21 | C20 | C25 | H8 | 179.7° | 180.0° |
C20 | C21 | C22 | H9 | 180.0° | 179.9° |
C21 | C20 | N18 | H13 | 36.8° | 35.5° |
C25 | C24 | C23 | H7 | 180.0° | 179.9° |
C25 | C24 | C23 | C22 | 0.0° | 0.1° |
C25 | C24 | C23 | H10 | 180.0° | 179.9° |
C26 | C21 | C22 | C23 | 180.0° | 179.9° |
C26 | C21 | C22 | H9 | 0.0° | 0.0° |
C21 | C26 | O27 | H14 | 179.9° | 179.9° |
O27 | C26 | C21 | C22 | 24.9° | 5.4° |
C21 | C22 | C23 | C24 | 0.1° | 0.1° |
C21 | C22 | C23 | H9 | 180.0° | 179.9° |
C21 | C22 | C23 | H10 | 179.9° | 180.0° |
C24 | C23 | C22 | H10 | 180.0° | 180.0° |
C23 | C24 | C25 | H8 | 179.8° | 180.0° |
C24 | C23 | C22 | H9 | 179.9° | 180.0° |
C22 | C23 | C24 | H7 | 179.9° | 180.0° |
H1 | C2 | C3 | H2 | 0.2° | 0.0° |
H2 | C3 | C4 | H3 | 0.1° | 0.0° |
H3 | C4 | C5 | H11 | 0.1° | 0.0° |
H4 | C11 | C12 | H5 | 0.1° | 0.0° |
H7 | C24 | C25 | H8 | 0.3° | 0.1° |
H7 | C24 | C23 | H10 | 0.0° | 0.0° |
H9 | C22 | C23 | H10 | 0.1° | 0.0° |
H11 | C5 | C6 | H12 | 0.2° | 0.3° |