OOY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C7 | sing | 1.43Å | 1.43Å | |
O2 | C8 | sing | 1.43Å | 1.42Å | |
C7 | C6 | sing | 1.53Å | 1.52Å | |
C8 | C9 | sing | 1.53Å | 1.51Å | |
C6 | N2 | sing | 1.47Å | 1.46Å | |
C9 | N2 | sing | 1.47Å | 1.47Å | |
N2 | C5 | sing | 1.40Å | 1.42Å | |
C5 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
C5 | C4 | sing | 1.39Å | 1.43Å | Aromatic |
C10 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
C4 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
C12 | N3 | sing | 1.47Å | 1.48Å | |
C12 | C13 | sing | 1.53Å | 1.51Å | |
C11 | N3 | sing | 1.40Å | 1.40Å | |
C11 | C2 | doub | 1.39Å | 1.43Å | Aromatic |
C3 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
N3 | C15 | sing | 1.47Å | 1.48Å | |
C2 | N1 | sing | 1.40Å | 1.43Å | |
C15 | C14 | sing | 1.53Å | 1.51Å | |
C13 | O3 | sing | 1.43Å | 1.42Å | |
O3 | C14 | sing | 1.43Å | 1.42Å | |
N1 | C1 | sing | 1.35Å | 1.39Å | |
C1 | O1 | doub | 1.22Å | 1.24Å | |
C1 | C16 | sing | 1.48Å | 1.51Å | |
C16 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
C16 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
C27 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
C25 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
C26 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
O4 | C20 | sing | 1.36Å | 1.39Å | |
O4 | C21 | sing | 1.36Å | 1.40Å | |
C20 | C19 | doub | 1.39Å | 1.37Å | Aromatic |
C21 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
C4 | H1 | sing | 1.08Å | 1.08Å | |
C14 | H2 | sing | 1.09Å | 1.10Å | |
C14 | H3 | sing | 1.09Å | 1.10Å | |
C6 | H4 | sing | 1.09Å | 1.10Å | |
C6 | H5 | sing | 1.09Å | 1.10Å | |
C7 | H6 | sing | 1.09Å | 1.10Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H10 | sing | 1.09Å | 1.10Å | |
C9 | H11 | sing | 1.09Å | 1.10Å | |
C10 | H12 | sing | 1.08Å | 1.08Å | |
C12 | H13 | sing | 1.09Å | 1.10Å | |
C12 | H14 | sing | 1.09Å | 1.10Å | |
C13 | H15 | sing | 1.09Å | 1.10Å | |
C13 | H16 | sing | 1.09Å | 1.10Å | |
N1 | H17 | sing | 0.97Å | 1.00Å | |
C3 | H18 | sing | 1.08Å | 1.08Å | |
C15 | H19 | sing | 1.09Å | 1.10Å | |
C15 | H20 | sing | 1.09Å | 1.10Å | |
C17 | H21 | sing | 1.08Å | 1.08Å | |
C18 | H22 | sing | 1.08Å | 1.08Å | |
C19 | H23 | sing | 1.08Å | 1.08Å | |
C22 | H24 | sing | 1.08Å | 1.08Å | |
C23 | H25 | sing | 1.08Å | 1.08Å | |
C24 | H26 | sing | 1.08Å | 1.08Å | |
C25 | H27 | sing | 1.08Å | 1.08Å | |
C26 | H28 | sing | 1.08Å | 1.08Å | |
C27 | H29 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C7 | O2 | C8 | 111.2° | 113.8° |
O2 | C7 | C6 | 114.0° | 109.3° |
O2 | C7 | H6 | 108.3° | 109.5° |
O2 | C7 | H7 | 108.3° | 109.6° |
O2 | C8 | C9 | 110.8° | 109.3° |
O2 | C8 | H8 | 109.1° | 109.5° |
O2 | C8 | H9 | 109.1° | 109.5° |
C7 | C6 | N2 | 110.3° | 109.3° |
C7 | C6 | H4 | 109.2° | 109.5° |
C7 | C6 | H5 | 109.2° | 109.5° |
C6 | C7 | H6 | 108.3° | 109.5° |
C6 | C7 | H7 | 108.3° | 109.5° |
C8 | C9 | N2 | 111.7° | 109.3° |
C9 | C8 | H8 | 109.2° | 109.6° |
C9 | C8 | H9 | 109.2° | 109.5° |
C8 | C9 | H10 | 108.9° | 109.5° |
C8 | C9 | H11 | 108.9° | 109.5° |
C6 | N2 | C9 | 110.0° | 110.7° |
C6 | N2 | C5 | 117.9° | 111.0° |
N2 | C6 | H4 | 109.3° | 109.6° |
N2 | C6 | H5 | 109.2° | 109.5° |
C9 | N2 | C5 | 114.3° | 111.0° |
N2 | C9 | H10 | 108.9° | 109.5° |
N2 | C9 | H11 | 108.9° | 109.6° |
N2 | C5 | C10 | 120.2° | 120.0° |
N2 | C5 | C4 | 121.9° | 120.0° |
C10 | C5 | C4 | 117.8° | 120.0° |
C5 | C10 | C11 | 121.9° | 119.9° |
C5 | C10 | H12 | 119.1° | 120.0° |
C5 | C4 | C3 | 121.3° | 120.1° |
C5 | C4 | H1 | 119.3° | 119.9° |
C10 | C11 | N3 | 119.7° | 120.1° |
C10 | C11 | C2 | 118.5° | 119.9° |
C11 | C10 | H12 | 119.1° | 120.0° |
C4 | C3 | C2 | 120.9° | 120.1° |
C3 | C4 | H1 | 119.4° | 119.9° |
C4 | C3 | H18 | 119.6° | 119.9° |
N3 | C12 | C13 | 111.2° | 109.2° |
C12 | N3 | C11 | 122.6° | 111.0° |
C12 | N3 | C15 | 113.8° | 110.8° |
N3 | C12 | H13 | 109.1° | 109.5° |
N3 | C12 | H14 | 109.1° | 109.5° |
C12 | C13 | O3 | 110.4° | 109.3° |
C13 | C12 | H13 | 109.0° | 109.4° |
C13 | C12 | H14 | 109.0° | 109.5° |
C12 | C13 | H15 | 109.2° | 109.5° |
C12 | C13 | H16 | 109.3° | 109.5° |
N3 | C11 | C2 | 121.7° | 120.0° |
C11 | N3 | C15 | 122.6° | 111.1° |
C11 | C2 | C3 | 119.7° | 120.0° |
C11 | C2 | N1 | 118.5° | 120.0° |
C3 | C2 | N1 | 121.8° | 120.0° |
C2 | C3 | H18 | 119.6° | 120.0° |
N3 | C15 | C14 | 111.4° | 109.3° |
N3 | C15 | H19 | 109.0° | 109.5° |
N3 | C15 | H20 | 109.0° | 109.5° |
C2 | N1 | C1 | 132.5° | 120.0° |
C2 | N1 | H17 | 113.7° | 120.0° |
C15 | C14 | O3 | 111.8° | 109.3° |
C15 | C14 | H2 | 108.9° | 109.5° |
C15 | C14 | H3 | 108.9° | 109.6° |
C14 | C15 | H19 | 109.0° | 109.5° |
C14 | C15 | H20 | 109.0° | 109.5° |
C13 | O3 | C14 | 109.2° | 113.8° |
O3 | C13 | H15 | 109.2° | 109.5° |
O3 | C13 | H16 | 109.2° | 109.5° |
O3 | C14 | H2 | 108.9° | 109.5° |
O3 | C14 | H3 | 108.9° | 109.5° |
N1 | C1 | O1 | 124.3° | 120.0° |
N1 | C1 | C16 | 116.4° | 120.0° |
C1 | N1 | H17 | 113.8° | 120.0° |
O1 | C1 | C16 | 119.0° | 120.0° |
C1 | C16 | C27 | 122.5° | 120.1° |
C1 | C16 | C17 | 119.2° | 120.1° |
C27 | C16 | C17 | 118.2° | 119.8° |
C16 | C27 | C20 | 121.4° | 119.8° |
C16 | C27 | H29 | 119.3° | 120.1° |
C16 | C17 | C18 | 119.6° | 119.9° |
C16 | C17 | H21 | 120.2° | 120.0° |
C27 | C20 | O4 | 119.9° | 120.0° |
C27 | C20 | C19 | 120.1° | 120.1° |
C20 | C27 | H29 | 119.3° | 120.1° |
C26 | C25 | C24 | 120.4° | 120.1° |
C25 | C26 | C21 | 119.3° | 119.9° |
C26 | C25 | H27 | 119.8° | 119.9° |
C25 | C26 | H28 | 120.3° | 120.1° |
C25 | C24 | C23 | 119.9° | 120.1° |
C25 | C24 | H26 | 120.1° | 120.0° |
C24 | C25 | H27 | 119.8° | 119.9° |
C26 | C21 | O4 | 118.0° | 120.1° |
C26 | C21 | C22 | 120.6° | 119.8° |
C21 | C26 | H28 | 120.3° | 120.0° |
C24 | C23 | C22 | 120.3° | 120.1° |
C24 | C23 | H25 | 119.9° | 120.0° |
C23 | C24 | H26 | 120.1° | 119.9° |
C20 | O4 | C21 | 118.0° | 118.0° |
O4 | C20 | C19 | 119.9° | 120.0° |
O4 | C21 | C22 | 121.4° | 120.1° |
C20 | C19 | C18 | 118.9° | 120.2° |
C20 | C19 | H23 | 120.5° | 119.9° |
C21 | C22 | C23 | 119.5° | 120.0° |
C21 | C22 | H24 | 120.2° | 120.0° |
C17 | C18 | C19 | 121.7° | 120.2° |
C18 | C17 | H21 | 120.2° | 120.0° |
C17 | C18 | H22 | 119.1° | 119.9° |
C23 | C22 | H24 | 120.3° | 120.0° |
C22 | C23 | H25 | 119.8° | 119.9° |
C19 | C18 | H22 | 119.2° | 119.9° |
C18 | C19 | H23 | 120.5° | 119.9° |
H2 | C14 | H3 | 109.5° | 109.4° |
H4 | C6 | H5 | 109.5° | 109.4° |
H6 | C7 | H7 | 109.5° | 109.5° |
H8 | C8 | H9 | 109.5° | 109.5° |
H10 | C9 | H11 | 109.5° | 109.5° |
H13 | C12 | H14 | 109.5° | 109.6° |
H15 | C13 | H16 | 109.5° | 109.5° |
H19 | C15 | H20 | 109.5° | 109.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C7 | C6 | H6 | 120.6° | 119.9° |
O2 | C7 | C6 | H7 | 120.7° | 120.0° |
C7 | O2 | C8 | C9 | 55.8° | 58.6° |
O2 | C7 | C6 | N2 | 53.3° | 56.9° |
O2 | C7 | C6 | H4 | 66.8° | 63.2° |
O2 | C7 | C6 | H5 | 173.4° | 176.8° |
O2 | C7 | H6 | H7 | 117.9° | 120.1° |
C7 | O2 | C8 | H8 | 64.4° | 178.6° |
C7 | O2 | C8 | H9 | 176.0° | 61.3° |
C8 | O2 | C7 | C6 | 55.0° | 58.6° |
O2 | C8 | C9 | H8 | 120.2° | 120.0° |
O2 | C8 | C9 | H9 | 120.2° | 119.9° |
O2 | C8 | C9 | N2 | 57.6° | 56.8° |
C8 | O2 | C7 | H6 | 175.6° | 61.3° |
C8 | O2 | C7 | H7 | 65.7° | 178.6° |
O2 | C8 | H8 | H9 | 119.4° | 120.1° |
O2 | C8 | C9 | H10 | 177.9° | 176.8° |
O2 | C8 | C9 | H11 | 62.7° | 63.2° |
C7 | C6 | N2 | H4 | 120.1° | 120.0° |
C7 | C6 | N2 | H5 | 120.1° | 120.0° |
C7 | C6 | N2 | C9 | 52.7° | 58.6° |
C7 | C6 | N2 | C5 | 173.7° | 177.6° |
C7 | C6 | H4 | H5 | 119.6° | 120.1° |
C6 | C7 | H6 | H7 | 118.0° | 120.1° |
C8 | C9 | N2 | C6 | 56.0° | 58.6° |
C8 | C9 | N2 | H10 | 120.3° | 120.0° |
C8 | C9 | N2 | H11 | 120.3° | 119.9° |
C8 | C9 | N2 | C5 | 168.6° | 177.6° |
C9 | C8 | H8 | H9 | 119.4° | 120.1° |
C8 | C9 | H10 | H11 | 119.0° | 120.0° |
C6 | N2 | C9 | C5 | 135.4° | 123.8° |
C6 | N2 | C5 | C10 | 179.6° | 179.9° |
C6 | N2 | C5 | C4 | 4.5° | 0.0° |
N2 | C6 | H4 | H5 | 119.6° | 120.0° |
N2 | C6 | C7 | H6 | 174.0° | 63.1° |
N2 | C6 | C7 | H7 | 67.4° | 176.9° |
C6 | N2 | C9 | H10 | 176.4° | 178.6° |
C6 | N2 | C9 | H11 | 64.3° | 61.3° |
C9 | N2 | C5 | C10 | 48.6° | 56.3° |
C9 | N2 | C5 | C4 | 127.3° | 123.6° |
C9 | N2 | C6 | H4 | 67.5° | 61.3° |
C9 | N2 | C6 | H5 | 172.8° | 178.6° |
N2 | C9 | C8 | H8 | 62.6° | 176.8° |
N2 | C9 | C8 | H9 | 177.8° | 63.1° |
N2 | C9 | H10 | H11 | 119.0° | 120.2° |
N2 | C5 | C10 | C4 | 176.1° | 179.9° |
N2 | C5 | C10 | C11 | 177.0° | 180.0° |
N2 | C5 | C4 | C3 | 177.6° | 180.0° |
N2 | C5 | C4 | H1 | 2.4° | 0.2° |
C5 | N2 | C6 | H4 | 66.2° | 62.4° |
C5 | N2 | C6 | H5 | 53.6° | 57.6° |
C5 | N2 | C9 | H10 | 48.2° | 57.7° |
C5 | N2 | C9 | H11 | 71.1° | 62.4° |
N2 | C5 | C10 | H12 | 3.0° | 0.1° |
C5 | C10 | C11 | H12 | 180.0° | 179.9° |
C10 | C5 | C4 | C3 | 1.6° | 0.1° |
C5 | C10 | C11 | N3 | 177.8° | 179.8° |
C5 | C10 | C11 | C2 | 0.2° | 0.2° |
C10 | C5 | C4 | H1 | 178.4° | 179.7° |
C4 | C5 | C10 | C11 | 1.0° | 0.1° |
C5 | C4 | C3 | H1 | 180.0° | 179.8° |
C5 | C4 | C3 | C2 | 1.0° | 0.2° |
C4 | C5 | C10 | H12 | 179.0° | 180.0° |
C5 | C4 | C3 | H18 | 179.0° | 179.8° |
C10 | C11 | N3 | C12 | 86.8° | 59.6° |
C10 | C11 | N3 | C2 | 177.6° | 179.6° |
C10 | C11 | C2 | C3 | 0.8° | 0.4° |
C10 | C11 | N3 | C15 | 81.1° | 64.0° |
C10 | C11 | C2 | N1 | 177.3° | 180.0° |
C4 | C3 | C2 | C11 | 0.2° | 0.4° |
C4 | C3 | C2 | H18 | 180.0° | 179.9° |
C4 | C3 | C2 | N1 | 177.8° | 179.9° |
N3 | C12 | C13 | H13 | 120.3° | 119.9° |
N3 | C12 | C13 | H14 | 120.3° | 120.0° |
C12 | N3 | C11 | C15 | 168.0° | 123.7° |
C12 | N3 | C11 | C2 | 90.7° | 120.0° |
C12 | N3 | C15 | C14 | 44.8° | 58.6° |
N3 | C12 | C13 | O3 | 56.4° | 56.8° |
N3 | C12 | H13 | H14 | 119.2° | 120.2° |
N3 | C12 | C13 | H15 | 63.8° | 63.1° |
N3 | C12 | C13 | H16 | 176.5° | 176.8° |
C12 | N3 | C15 | H19 | 75.5° | 178.5° |
C12 | N3 | C15 | H20 | 165.1° | 61.4° |
C13 | C12 | N3 | C11 | 144.0° | 177.6° |
C13 | C12 | N3 | C15 | 47.1° | 58.6° |
C12 | C13 | O3 | H15 | 120.1° | 119.9° |
C12 | C13 | O3 | H16 | 120.2° | 120.0° |
C12 | C13 | O3 | C14 | 64.1° | 58.7° |
C13 | C12 | H13 | H14 | 119.2° | 120.1° |
C12 | C13 | H15 | H16 | 119.6° | 120.1° |
N3 | C11 | C2 | C3 | 178.4° | 180.0° |
N3 | C11 | C2 | N1 | 0.3° | 0.4° |
C11 | N3 | C15 | C14 | 146.3° | 177.6° |
N3 | C11 | C10 | H12 | 2.2° | 0.1° |
C11 | N3 | C12 | H13 | 23.8° | 62.6° |
C11 | N3 | C12 | H14 | 95.7° | 57.7° |
C11 | N3 | C15 | H19 | 93.4° | 57.8° |
C11 | N3 | C15 | H20 | 26.0° | 62.4° |
C11 | C2 | C3 | N1 | 178.0° | 179.5° |
C2 | C11 | N3 | C15 | 101.3° | 116.4° |
C11 | C2 | N1 | C1 | 172.4° | 155.7° |
C2 | C11 | C10 | H12 | 179.8° | 179.7° |
C11 | C2 | N1 | H17 | 7.6° | 24.3° |
C11 | C2 | C3 | H18 | 179.8° | 179.5° |
C3 | C2 | N1 | C1 | 5.7° | 24.8° |
C2 | C3 | C4 | H1 | 178.9° | 180.0° |
C3 | C2 | N1 | H17 | 174.4° | 155.3° |
N3 | C15 | C14 | H19 | 120.3° | 119.9° |
N3 | C15 | C14 | H20 | 120.3° | 119.9° |
N3 | C15 | C14 | O3 | 52.1° | 56.9° |
N3 | C15 | C14 | H2 | 172.5° | 63.1° |
N3 | C15 | C14 | H3 | 68.2° | 176.9° |
C15 | N3 | C12 | H13 | 167.3° | 61.3° |
C15 | N3 | C12 | H14 | 73.2° | 178.5° |
N3 | C15 | H19 | H20 | 119.1° | 120.1° |
C2 | N1 | C1 | H17 | 180.0° | 180.0° |
C2 | N1 | C1 | O1 | 18.5° | 1.6° |
C2 | N1 | C1 | C16 | 168.1° | 178.4° |
N1 | C2 | C3 | H18 | 2.2° | 0.0° |
C15 | C14 | O3 | C13 | 62.2° | 58.7° |
C15 | C14 | O3 | H2 | 120.3° | 120.0° |
C15 | C14 | O3 | H3 | 120.4° | 120.0° |
C15 | C14 | H2 | H3 | 119.0° | 120.1° |
C14 | C15 | H19 | H20 | 119.1° | 120.1° |
C13 | O3 | C14 | H2 | 177.4° | 61.3° |
C13 | O3 | C14 | H3 | 58.2° | 178.7° |
O3 | C13 | C12 | H13 | 176.6° | 63.1° |
O3 | C13 | C12 | H14 | 63.9° | 176.7° |
O3 | C13 | H15 | H16 | 119.6° | 120.1° |
O3 | C14 | H2 | H3 | 118.9° | 120.0° |
C14 | O3 | C13 | H15 | 56.1° | 61.3° |
C14 | O3 | C13 | H16 | 175.8° | 178.6° |
O3 | C14 | C15 | H19 | 68.1° | 176.8° |
O3 | C14 | C15 | H20 | 172.4° | 63.1° |
N1 | C1 | O1 | C16 | 173.2° | 180.0° |
N1 | C1 | C16 | C27 | 3.5° | 180.0° |
N1 | C1 | C16 | C17 | 172.1° | 0.3° |
O1 | C1 | C16 | C27 | 177.2° | 0.0° |
O1 | C1 | C16 | C17 | 1.6° | 179.8° |
O1 | C1 | N1 | H17 | 161.5° | 178.4° |
C1 | C16 | C27 | C17 | 175.7° | 179.8° |
C1 | C16 | C27 | C20 | 178.3° | 179.7° |
C1 | C16 | C17 | C18 | 177.7° | 180.0° |
C16 | C1 | N1 | H17 | 11.9° | 1.6° |
C1 | C16 | C17 | H21 | 2.4° | 0.0° |
C1 | C16 | C27 | H29 | 1.7° | 0.1° |
C16 | C27 | C20 | H29 | 180.0° | 179.8° |
C16 | C27 | C20 | O4 | 178.7° | 179.7° |
C16 | C27 | C20 | C19 | 1.5° | 0.5° |
C27 | C16 | C17 | C18 | 1.8° | 0.2° |
C27 | C16 | C17 | H21 | 178.2° | 179.8° |
C17 | C16 | C27 | C20 | 2.6° | 0.5° |
C16 | C17 | C18 | H21 | 180.0° | 180.0° |
C16 | C17 | C18 | C19 | 0.0° | 0.1° |
C16 | C17 | C18 | H22 | 180.0° | 180.0° |
C17 | C16 | C27 | H29 | 177.4° | 179.7° |
C27 | C20 | O4 | C19 | 177.2° | 179.7° |
C27 | C20 | O4 | C21 | 57.3° | 3.8° |
C27 | C20 | C19 | C18 | 0.4° | 0.3° |
C27 | C20 | C19 | H23 | 179.6° | 179.8° |
C26 | C25 | C24 | H27 | 180.0° | 179.5° |
C25 | C26 | C21 | H28 | 180.0° | 179.5° |
C26 | C25 | C24 | C23 | 0.3° | 0.2° |
C25 | C26 | C21 | O4 | 178.1° | 179.7° |
C25 | C26 | C21 | C22 | 0.5° | 0.5° |
C26 | C25 | C24 | H26 | 179.7° | 179.7° |
C24 | C25 | C26 | C21 | 0.3° | 0.5° |
C25 | C24 | C23 | H26 | 180.0° | 180.0° |
C25 | C24 | C23 | C22 | 0.5° | 0.0° |
C25 | C24 | C23 | H25 | 179.5° | 180.0° |
C24 | C25 | C26 | H28 | 179.7° | 180.0° |
C26 | C21 | O4 | C20 | 137.5° | 104.5° |
C26 | C21 | O4 | C22 | 177.6° | 179.8° |
C26 | C21 | C22 | C23 | 0.6° | 0.2° |
C26 | C21 | C22 | H24 | 179.4° | 179.8° |
C21 | C26 | C25 | H27 | 179.7° | 180.0° |
C24 | C23 | C22 | C21 | 0.6° | 0.0° |
C24 | C23 | C22 | H25 | 180.0° | 180.0° |
C24 | C23 | C22 | H24 | 179.4° | 179.9° |
C23 | C24 | C25 | H27 | 179.7° | 179.7° |
C20 | O4 | C21 | C22 | 40.1° | 75.8° |
O4 | C20 | C19 | C18 | 176.7° | 180.0° |
O4 | C20 | C19 | H23 | 3.3° | 0.1° |
O4 | C20 | C27 | H29 | 1.3° | 0.1° |
C21 | O4 | C20 | C19 | 119.9° | 176.4° |
O4 | C21 | C22 | C23 | 178.2° | 180.0° |
O4 | C21 | C22 | H24 | 1.8° | 0.0° |
O4 | C21 | C26 | H28 | 1.9° | 0.2° |
C20 | C19 | C18 | C17 | 1.2° | 0.0° |
C20 | C19 | C18 | H23 | 180.0° | 179.9° |
C20 | C19 | C18 | H22 | 178.8° | 180.0° |
C19 | C20 | C27 | H29 | 178.5° | 179.6° |
C21 | C22 | C23 | H24 | 180.0° | 180.0° |
C21 | C22 | C23 | H25 | 179.4° | 179.9° |
C22 | C21 | C26 | H28 | 179.5° | 180.0° |
C17 | C18 | C19 | H22 | 180.0° | 179.9° |
C17 | C18 | C19 | H23 | 178.8° | 179.9° |
C22 | C23 | C24 | H26 | 179.5° | 180.0° |
C19 | C18 | C17 | H21 | 180.0° | 179.9° |
H1 | C4 | C3 | H18 | 1.0° | 0.0° |
H2 | C14 | C15 | H19 | 52.2° | 56.8° |
H2 | C14 | C15 | H20 | 67.2° | 177.0° |
H3 | C14 | C15 | H19 | 171.5° | 63.2° |
H3 | C14 | C15 | H20 | 52.1° | 56.9° |
H4 | C6 | C7 | H6 | 53.8° | 176.9° |
H4 | C6 | C7 | H7 | 172.5° | 56.8° |
H5 | C6 | C7 | H6 | 65.9° | 56.9° |
H5 | C6 | C7 | H7 | 52.8° | 63.2° |
H8 | C8 | C9 | H10 | 57.8° | 63.2° |
H8 | C8 | C9 | H11 | 177.1° | 56.8° |
H9 | C8 | C9 | H10 | 61.9° | 56.9° |
H9 | C8 | C9 | H11 | 57.5° | 176.9° |
H13 | C12 | C13 | H15 | 56.5° | 177.0° |
H13 | C12 | C13 | H16 | 63.2° | 56.9° |
H14 | C12 | C13 | H15 | 176.0° | 56.8° |
H14 | C12 | C13 | H16 | 56.3° | 63.3° |
H21 | C17 | C18 | H22 | 0.0° | 0.0° |
H22 | C18 | C19 | H23 | 1.2° | 0.0° |
H24 | C22 | C23 | H25 | 0.6° | 0.1° |
H25 | C23 | C24 | H26 | 0.5° | 0.0° |
H26 | C24 | C25 | H27 | 0.3° | 0.3° |
H27 | C25 | C26 | H28 | 0.3° | 0.5° |