FFZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C21 | C19 | sing | 1.53Å | 1.52Å | |
O3 | C22 | doub | 1.21Å | 1.22Å | |
C19 | N3 | sing | 1.46Å | 1.49Å | |
C19 | C20 | sing | 1.53Å | 1.53Å | |
C22 | N3 | sing | 1.35Å | 1.38Å | |
C22 | C23 | sing | 1.50Å | 1.51Å | |
N3 | N2 | sing | 1.40Å | 1.36Å | |
C24 | C23 | sing | 1.52Å | 1.54Å | |
C24 | C25 | sing | 1.50Å | 1.49Å | |
C23 | C28 | sing | 1.53Å | 1.55Å | |
C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
C17 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
N2 | C18 | doub | 1.30Å | 1.29Å | |
C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
C25 | C26 | doub | 1.29Å | 1.32Å | |
C12 | C11 | sing | 1.51Å | 1.51Å | |
C11 | N1 | sing | 1.47Å | 1.46Å | |
N1 | C10 | sing | 1.35Å | 1.34Å | |
C28 | C18 | sing | 1.52Å | 1.54Å | |
C28 | C27 | sing | 1.53Å | 1.55Å | |
C18 | C5 | sing | 1.47Å | 1.50Å | |
C26 | C27 | sing | 1.48Å | 1.50Å | |
C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
C6 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
C10 | C9 | sing | 1.43Å | 1.42Å | |
C10 | O2 | doub | 1.22Å | 1.23Å | |
C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
C9 | C8 | trip | 1.17Å | 1.19Å | |
C8 | C7 | sing | 1.43Å | 1.43Å | |
C7 | C2 | doub | 1.40Å | 1.41Å | Aromatic |
C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
C2 | O1 | sing | 1.36Å | 1.38Å | |
O1 | C1 | sing | 1.43Å | 1.43Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
C13 | H4 | sing | 1.08Å | 1.08Å | |
C16 | H5 | sing | 1.08Å | 1.08Å | |
C17 | H6 | sing | 1.08Å | 1.08Å | |
C11 | H7 | sing | 1.09Å | 1.10Å | |
C11 | H8 | sing | 1.09Å | 1.10Å | |
C14 | H9 | sing | 1.08Å | 1.08Å | |
C15 | H10 | sing | 1.08Å | 1.08Å | |
C19 | H11 | sing | 1.09Å | 1.10Å | |
C20 | H12 | sing | 1.09Å | 1.10Å | |
C20 | H13 | sing | 1.09Å | 1.10Å | |
C20 | H14 | sing | 1.09Å | 1.10Å | |
C21 | H15 | sing | 1.09Å | 1.10Å | |
C21 | H16 | sing | 1.09Å | 1.10Å | |
C21 | H17 | sing | 1.09Å | 1.10Å | |
C23 | H18 | sing | 1.09Å | 1.10Å | |
C24 | H19 | sing | 1.09Å | 1.10Å | |
C24 | H20 | sing | 1.09Å | 1.10Å | |
C25 | H21 | sing | 1.08Å | 1.08Å | |
C26 | H22 | sing | 1.08Å | 1.08Å | |
C27 | H23 | sing | 1.09Å | 1.10Å | |
C27 | H24 | sing | 1.09Å | 1.10Å | |
C28 | H25 | sing | 1.09Å | 1.10Å | |
C3 | H26 | sing | 1.08Å | 1.08Å | |
C4 | H27 | sing | 1.08Å | 1.08Å | |
C6 | H28 | sing | 1.08Å | 1.08Å | |
N1 | H29 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C21 | C19 | N3 | 109.0° | 109.5° |
C21 | C19 | C20 | 113.1° | 109.5° |
C21 | C19 | H11 | 107.8° | 109.5° |
C19 | C21 | H15 | 109.5° | 109.5° |
C19 | C21 | H16 | 109.5° | 109.5° |
C19 | C21 | H17 | 109.5° | 109.5° |
O3 | C22 | N3 | 120.6° | 120.9° |
O3 | C22 | C23 | 122.5° | 121.0° |
N3 | C19 | C20 | 110.9° | 109.5° |
C19 | N3 | C22 | 120.2° | 120.1° |
C19 | N3 | N2 | 115.6° | 120.1° |
N3 | C19 | H11 | 108.2° | 109.5° |
C20 | C19 | H11 | 107.6° | 109.5° |
C19 | C20 | H12 | 109.5° | 109.5° |
C19 | C20 | H13 | 109.4° | 109.4° |
C19 | C20 | H14 | 109.5° | 109.5° |
N3 | C22 | C23 | 116.9° | 118.0° |
C22 | N3 | N2 | 124.1° | 119.7° |
C22 | C23 | C24 | 114.2° | 112.0° |
C22 | C23 | C28 | 107.4° | 108.5° |
C22 | C23 | H18 | 107.6° | 108.7° |
N3 | N2 | C18 | 117.2° | 121.3° |
C23 | C24 | C25 | 112.5° | 111.3° |
C24 | C23 | C28 | 112.7° | 110.5° |
C24 | C23 | H18 | 107.3° | 108.0° |
C23 | C24 | H19 | 108.7° | 109.1° |
C23 | C24 | H20 | 108.7° | 109.1° |
C24 | C25 | C26 | 123.2° | 123.7° |
C25 | C24 | H19 | 108.7° | 109.1° |
C25 | C24 | H20 | 108.7° | 109.1° |
C24 | C25 | H21 | 118.4° | 118.2° |
C23 | C28 | C18 | 108.3° | 106.9° |
C23 | C28 | C27 | 111.0° | 108.7° |
C28 | C23 | H18 | 107.2° | 109.0° |
C23 | C28 | H25 | 108.1° | 111.0° |
C16 | C15 | C14 | 119.8° | 120.0° |
C15 | C16 | C17 | 120.4° | 120.0° |
C15 | C16 | H5 | 119.8° | 120.0° |
C16 | C15 | H10 | 120.1° | 120.0° |
C15 | C14 | C13 | 120.1° | 120.0° |
C15 | C14 | H9 | 120.0° | 120.0° |
C14 | C15 | H10 | 120.1° | 120.0° |
C16 | C17 | C12 | 120.5° | 120.0° |
C17 | C16 | H5 | 119.8° | 120.0° |
C16 | C17 | H6 | 119.8° | 120.0° |
C14 | C13 | C12 | 120.8° | 120.0° |
C14 | C13 | H4 | 119.6° | 120.0° |
C13 | C14 | H9 | 119.9° | 120.0° |
C17 | C12 | C13 | 118.4° | 120.0° |
C17 | C12 | C11 | 121.0° | 120.0° |
C12 | C17 | H6 | 119.7° | 120.0° |
N2 | C18 | C28 | 123.0° | 119.2° |
N2 | C18 | C5 | 116.3° | 120.4° |
C13 | C12 | C11 | 120.6° | 120.0° |
C12 | C13 | H4 | 119.6° | 119.9° |
C25 | C26 | C27 | 124.7° | 124.4° |
C26 | C25 | H21 | 118.4° | 118.2° |
C25 | C26 | H22 | 117.6° | 117.8° |
C12 | C11 | N1 | 113.3° | 109.4° |
C12 | C11 | H7 | 108.5° | 109.5° |
C12 | C11 | H8 | 108.5° | 109.4° |
C11 | N1 | C10 | 120.9° | 120.0° |
N1 | C11 | H7 | 108.5° | 109.5° |
N1 | C11 | H8 | 108.5° | 109.4° |
C11 | N1 | H29 | 119.5° | 120.0° |
N1 | C10 | C9 | 114.3° | 120.0° |
N1 | C10 | O2 | 125.1° | 120.0° |
C10 | N1 | H29 | 119.6° | 120.1° |
C18 | C28 | C27 | 112.9° | 107.2° |
C28 | C18 | C5 | 120.7° | 120.4° |
C18 | C28 | H25 | 108.3° | 111.1° |
C28 | C27 | C26 | 114.4° | 111.4° |
C28 | C27 | H23 | 108.2° | 109.2° |
C28 | C27 | H24 | 108.2° | 108.9° |
C27 | C28 | H25 | 108.1° | 111.7° |
C18 | C5 | C6 | 116.4° | 120.1° |
C18 | C5 | C4 | 124.4° | 120.0° |
C27 | C26 | H22 | 117.6° | 117.8° |
C26 | C27 | H23 | 108.2° | 109.1° |
C26 | C27 | H24 | 108.2° | 109.1° |
C5 | C6 | C7 | 120.7° | 119.7° |
C6 | C5 | C4 | 119.2° | 120.0° |
C5 | C6 | H28 | 119.7° | 120.1° |
C6 | C7 | C8 | 119.5° | 120.1° |
C6 | C7 | C2 | 119.6° | 119.7° |
C7 | C6 | H28 | 119.6° | 120.2° |
C9 | C10 | O2 | 120.7° | 120.0° |
C10 | C9 | C8 | 175.9° | 179.9° |
C5 | C4 | C3 | 120.7° | 120.3° |
C5 | C4 | H27 | 119.6° | 119.9° |
C9 | C8 | C7 | 175.2° | 180.0° |
C8 | C7 | C2 | 120.8° | 120.2° |
C7 | C2 | C3 | 119.2° | 120.0° |
C7 | C2 | O1 | 116.2° | 120.0° |
C4 | C3 | C2 | 120.6° | 120.2° |
C4 | C3 | H26 | 119.7° | 119.9° |
C3 | C4 | H27 | 119.7° | 119.8° |
C3 | C2 | O1 | 124.7° | 120.0° |
C2 | C3 | H26 | 119.7° | 119.9° |
C2 | O1 | C1 | 118.5° | 117.0° |
O1 | C1 | H1 | 109.5° | 109.4° |
O1 | C1 | H2 | 109.5° | 109.5° |
O1 | C1 | H3 | 109.5° | 109.5° |
H1 | C1 | H2 | 109.5° | 109.5° |
H1 | C1 | H3 | 109.4° | 109.5° |
H2 | C1 | H3 | 109.5° | 109.5° |
H7 | C11 | H8 | 109.5° | 109.5° |
H12 | C20 | H13 | 109.5° | 109.5° |
H12 | C20 | H14 | 109.4° | 109.5° |
H13 | C20 | H14 | 109.5° | 109.5° |
H15 | C21 | H16 | 109.5° | 109.4° |
H15 | C21 | H17 | 109.5° | 109.5° |
H16 | C21 | H17 | 109.5° | 109.4° |
H19 | C24 | H20 | 109.4° | 109.1° |
H23 | C27 | H24 | 109.5° | 109.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C21 | C19 | N3 | C20 | 125.2° | 120.0° |
C21 | C19 | N3 | H11 | 117.0° | 120.0° |
C21 | C19 | C20 | H11 | 119.0° | 120.0° |
C21 | C19 | N3 | C22 | 108.0° | 120.0° |
C21 | C19 | N3 | N2 | 70.8° | 60.0° |
C21 | C19 | C20 | H12 | 180.0° | 60.0° |
C21 | C19 | C20 | H13 | 60.0° | 60.1° |
C21 | C19 | C20 | H14 | 60.0° | 180.0° |
C19 | C21 | H15 | H16 | 120.0° | 120.0° |
C19 | C21 | H15 | H17 | 120.0° | 120.1° |
C19 | C21 | H16 | H17 | 120.0° | 120.1° |
O3 | C22 | N3 | C19 | 2.3° | 3.9° |
O3 | C22 | N3 | C23 | 179.1° | 179.6° |
O3 | C22 | N3 | N2 | 179.1° | 176.1° |
O3 | C22 | C23 | C24 | 15.1° | 21.4° |
O3 | C22 | C23 | C28 | 140.9° | 143.7° |
O3 | C22 | C23 | H18 | 103.9° | 97.9° |
N3 | C19 | C20 | H11 | 118.1° | 120.0° |
C19 | N3 | C22 | N2 | 178.6° | 180.0° |
C19 | N3 | C22 | C23 | 178.6° | 176.4° |
C19 | N3 | N2 | C18 | 156.7° | 155.0° |
N3 | C19 | C20 | H12 | 57.1° | 60.0° |
N3 | C19 | C20 | H13 | 62.9° | 180.0° |
N3 | C19 | C20 | H14 | 177.1° | 60.0° |
N3 | C19 | C21 | H15 | 180.0° | 60.1° |
N3 | C19 | C21 | H16 | 60.0° | 180.0° |
N3 | C19 | C21 | H17 | 60.0° | 60.0° |
C20 | C19 | N3 | C22 | 126.8° | 120.0° |
C20 | C19 | N3 | N2 | 54.5° | 60.0° |
C19 | C20 | H12 | H13 | 120.0° | 120.0° |
C19 | C20 | H12 | H14 | 120.0° | 120.0° |
C19 | C20 | H13 | H14 | 120.0° | 120.0° |
C20 | C19 | C21 | H15 | 56.1° | 180.0° |
C20 | C19 | C21 | H16 | 63.9° | 60.0° |
C20 | C19 | C21 | H17 | 176.1° | 60.0° |
N3 | C22 | C23 | C24 | 164.0° | 159.0° |
N3 | C22 | C23 | C28 | 38.1° | 36.7° |
C22 | N3 | N2 | C18 | 24.6° | 25.0° |
C22 | N3 | C19 | H11 | 9.0° | 0.0° |
N3 | C22 | C23 | H18 | 77.0° | 81.7° |
C23 | C22 | N3 | N2 | 0.0° | 3.6° |
C22 | C23 | C24 | C28 | 123.0° | 121.2° |
C22 | C23 | C24 | H18 | 119.2° | 119.7° |
C22 | C23 | C24 | C25 | 77.8° | 75.4° |
C22 | C23 | C28 | H18 | 115.4° | 118.2° |
C22 | C23 | C28 | C18 | 50.6° | 55.0° |
C22 | C23 | C28 | C27 | 73.8° | 60.4° |
C22 | C23 | C24 | H19 | 42.7° | 45.0° |
C22 | C23 | C24 | H20 | 161.7° | 164.1° |
C22 | C23 | C28 | H25 | 167.8° | 176.3° |
N3 | N2 | C18 | C28 | 5.9° | 0.7° |
N3 | N2 | C18 | C5 | 174.2° | 179.5° |
N2 | N3 | C19 | H11 | 172.3° | 180.0° |
C23 | C24 | C25 | H19 | 120.5° | 120.5° |
C23 | C24 | C25 | H20 | 120.5° | 120.4° |
C24 | C23 | C28 | H18 | 117.9° | 118.6° |
C23 | C24 | C25 | C26 | 19.6° | 15.3° |
C24 | C23 | C28 | C18 | 177.3° | 178.2° |
C24 | C23 | C28 | C27 | 52.9° | 62.8° |
C23 | C24 | H19 | H20 | 118.6° | 119.1° |
C23 | C24 | C25 | H21 | 160.4° | 164.6° |
C24 | C23 | C28 | H25 | 65.5° | 60.5° |
C25 | C24 | C23 | C28 | 45.2° | 45.7° |
C24 | C25 | C26 | H21 | 180.0° | 180.0° |
C24 | C25 | C26 | C27 | 1.7° | 1.1° |
C25 | C24 | C23 | H18 | 163.0° | 164.9° |
C25 | C24 | H19 | H20 | 118.6° | 119.1° |
C24 | C25 | C26 | H22 | 178.3° | 179.0° |
C23 | C28 | C18 | N2 | 32.4° | 39.3° |
C23 | C28 | C18 | C27 | 123.3° | 116.4° |
C23 | C28 | C18 | H25 | 117.0° | 121.3° |
C23 | C28 | C27 | H25 | 118.4° | 122.8° |
C23 | C28 | C18 | C5 | 147.5° | 140.5° |
C23 | C28 | C27 | C26 | 34.6° | 47.3° |
C28 | C23 | C24 | H19 | 165.6° | 166.2° |
C28 | C23 | C24 | H20 | 75.3° | 74.7° |
C23 | C28 | C27 | H23 | 155.3° | 73.4° |
C23 | C28 | C27 | H24 | 86.2° | 167.6° |
C16 | C15 | C14 | H10 | 180.0° | 179.7° |
C15 | C16 | C17 | H5 | 180.0° | 180.0° |
C16 | C15 | C14 | C13 | 0.2° | 0.2° |
C15 | C16 | C17 | C12 | 0.4° | 0.0° |
C15 | C16 | C17 | H6 | 179.6° | 180.0° |
C16 | C15 | C14 | H9 | 179.8° | 179.7° |
C14 | C15 | C16 | C17 | 0.4° | 0.3° |
C15 | C14 | C13 | H9 | 180.0° | 179.9° |
C15 | C14 | C13 | C12 | 0.0° | 0.0° |
C15 | C14 | C13 | H4 | 179.9° | 180.0° |
C14 | C15 | C16 | H5 | 179.6° | 179.7° |
C16 | C17 | C12 | H6 | 180.0° | 179.9° |
C16 | C17 | C12 | C13 | 0.2° | 0.2° |
C16 | C17 | C12 | C11 | 178.9° | 180.0° |
C17 | C16 | C15 | H10 | 179.6° | 180.0° |
C14 | C13 | C12 | C17 | 0.0° | 0.3° |
C14 | C13 | C12 | H4 | 180.0° | 180.0° |
C14 | C13 | C12 | C11 | 179.1° | 180.0° |
C13 | C14 | C15 | H10 | 179.8° | 180.0° |
C17 | C12 | C13 | C11 | 179.1° | 179.7° |
C17 | C12 | C11 | N1 | 16.0° | 90.3° |
C17 | C12 | C13 | H4 | 180.0° | 179.7° |
C12 | C17 | C16 | H5 | 179.6° | 180.0° |
C17 | C12 | C11 | H7 | 104.6° | 29.7° |
C17 | C12 | C11 | H8 | 136.5° | 149.8° |
N2 | C18 | C28 | C5 | 179.9° | 179.8° |
N2 | C18 | C28 | C27 | 90.9° | 77.1° |
N2 | C18 | C5 | C6 | 14.4° | 0.2° |
N2 | C18 | C5 | C4 | 164.2° | 179.7° |
N2 | C18 | C28 | H25 | 149.4° | 160.6° |
C13 | C12 | C11 | N1 | 164.9° | 90.0° |
C13 | C12 | C17 | H6 | 179.8° | 179.7° |
C13 | C12 | C11 | H7 | 74.5° | 150.0° |
C13 | C12 | C11 | H8 | 44.4° | 29.9° |
C12 | C13 | C14 | H9 | 179.9° | 180.0° |
C25 | C26 | C27 | C28 | 9.7° | 17.9° |
C25 | C26 | C27 | H22 | 180.0° | 179.9° |
C26 | C25 | C24 | H19 | 140.1° | 135.8° |
C26 | C25 | C24 | H20 | 100.8° | 105.1° |
C25 | C26 | C27 | H23 | 130.4° | 102.7° |
C25 | C26 | C27 | H24 | 111.0° | 138.1° |
C12 | C11 | N1 | H7 | 120.5° | 120.0° |
C12 | C11 | N1 | H8 | 120.5° | 119.9° |
C12 | C11 | N1 | C10 | 97.8° | 180.0° |
C11 | C12 | C13 | H4 | 0.9° | 0.0° |
C11 | C12 | C17 | H6 | 1.1° | 0.0° |
C12 | C11 | H7 | H8 | 118.3° | 120.0° |
C12 | C11 | N1 | H29 | 82.2° | 0.1° |
C11 | N1 | C10 | H29 | 180.0° | 179.9° |
C11 | N1 | C10 | C9 | 115.9° | 180.0° |
C11 | N1 | C10 | O2 | 65.8° | 0.0° |
N1 | C11 | H7 | H8 | 118.3° | 120.0° |
N1 | C10 | C9 | O2 | 178.4° | 180.0° |
N1 | C10 | C9 | C8 | 30.1° | 123.0° |
C10 | N1 | C11 | H7 | 141.7° | 60.0° |
C10 | N1 | C11 | H8 | 22.7° | 60.1° |
C18 | C28 | C27 | H25 | 119.8° | 121.9° |
C18 | C28 | C27 | C26 | 156.3° | 162.5° |
C28 | C18 | C5 | C6 | 165.5° | 180.0° |
C28 | C18 | C5 | C4 | 15.9° | 0.1° |
C18 | C28 | C23 | H18 | 64.8° | 63.3° |
C18 | C28 | C27 | H23 | 82.9° | 41.9° |
C18 | C28 | C27 | H24 | 35.6° | 77.1° |
C27 | C28 | C18 | C5 | 89.2° | 103.1° |
C28 | C27 | C26 | H23 | 120.7° | 120.6° |
C28 | C27 | C26 | H24 | 120.7° | 120.2° |
C27 | C28 | C23 | H18 | 170.8° | 178.7° |
C28 | C27 | C26 | H22 | 170.3° | 162.2° |
C28 | C27 | H23 | H24 | 117.7° | 118.9° |
C18 | C5 | C6 | C4 | 178.7° | 179.9° |
C18 | C5 | C6 | C7 | 178.8° | 179.8° |
C18 | C5 | C4 | C3 | 179.2° | 179.9° |
C5 | C18 | C28 | H25 | 30.5° | 19.3° |
C18 | C5 | C4 | H27 | 0.8° | 0.0° |
C18 | C5 | C6 | H28 | 1.2° | 0.1° |
C27 | C26 | C25 | H21 | 178.3° | 178.8° |
C26 | C27 | H23 | H24 | 117.8° | 119.1° |
C26 | C27 | C28 | H25 | 83.9° | 75.6° |
C5 | C6 | C7 | H28 | 180.0° | 179.7° |
C5 | C6 | C7 | C8 | 178.6° | 180.0° |
C5 | C6 | C7 | C2 | 0.7° | 0.6° |
C6 | C5 | C4 | C3 | 0.5° | 0.0° |
C6 | C5 | C4 | H27 | 179.4° | 179.9° |
C7 | C6 | C5 | C4 | 0.1° | 0.3° |
C6 | C7 | C8 | C9 | 52.7° | 105.9° |
C6 | C7 | C8 | C2 | 177.8° | 179.4° |
C6 | C7 | C2 | C3 | 1.1° | 0.7° |
C6 | C7 | C2 | O1 | 179.5° | 179.7° |
C10 | C9 | C8 | C7 | 83.3° | 131.2° |
C9 | C10 | N1 | H29 | 64.1° | 0.1° |
O2 | C10 | C9 | C8 | 151.5° | 57.0° |
O2 | C10 | N1 | H29 | 114.3° | 180.0° |
C5 | C4 | C3 | H27 | 180.0° | 179.9° |
C5 | C4 | C3 | C2 | 0.2° | 0.0° |
C5 | C4 | C3 | H26 | 179.8° | 179.9° |
C4 | C5 | C6 | H28 | 179.9° | 180.0° |
C9 | C8 | C7 | C2 | 125.1° | 74.7° |
C8 | C7 | C2 | C3 | 178.9° | 180.0° |
C8 | C7 | C2 | O1 | 1.7° | 0.3° |
C8 | C7 | C6 | H28 | 1.4° | 0.3° |
C7 | C2 | C3 | C4 | 0.6° | 0.3° |
C7 | C2 | C3 | O1 | 179.4° | 179.7° |
C7 | C2 | O1 | C1 | 152.3° | 179.7° |
C7 | C2 | C3 | H26 | 179.4° | 179.7° |
C2 | C7 | C6 | H28 | 179.3° | 179.7° |
C4 | C3 | C2 | H26 | 180.0° | 179.9° |
C4 | C3 | C2 | O1 | 180.0° | 180.0° |
C3 | C2 | O1 | C1 | 28.3° | 0.0° |
C2 | C3 | C4 | H27 | 179.8° | 179.9° |
C2 | O1 | C1 | H1 | 180.0° | 60.0° |
C2 | O1 | C1 | H2 | 60.0° | 60.0° |
C2 | O1 | C1 | H3 | 60.0° | 180.0° |
O1 | C2 | C3 | H26 | 0.0° | 0.1° |
O1 | C1 | H1 | H2 | 120.0° | 120.0° |
O1 | C1 | H1 | H3 | 120.0° | 120.0° |
O1 | C1 | H2 | H3 | 120.0° | 120.0° |
H1 | C1 | H2 | H3 | 120.0° | 120.0° |
H4 | C13 | C14 | H9 | 0.1° | 0.0° |
H5 | C16 | C17 | H6 | 0.4° | 0.0° |
H5 | C16 | C15 | H10 | 0.4° | 0.0° |
H7 | C11 | N1 | H29 | 38.3° | 120.0° |
H8 | C11 | N1 | H29 | 157.3° | 120.0° |
H9 | C14 | C15 | H10 | 0.2° | 0.0° |
H11 | C19 | C20 | H12 | 61.0° | 180.0° |
H11 | C19 | C20 | H13 | 179.0° | 60.0° |
H11 | C19 | C20 | H14 | 59.0° | 60.0° |
H11 | C19 | C21 | H15 | 62.8° | 60.0° |
H11 | C19 | C21 | H16 | 177.2° | 60.0° |
H11 | C19 | C21 | H17 | 57.2° | 180.0° |
H12 | C20 | H13 | H14 | 120.0° | 120.0° |
H15 | C21 | H16 | H17 | 120.0° | 120.0° |
H18 | C23 | C24 | H19 | 76.5° | 74.7° |
H18 | C23 | C24 | H20 | 42.5° | 44.4° |
H18 | C23 | C28 | H25 | 52.4° | 58.1° |
H19 | C24 | C25 | H21 | 39.9° | 44.2° |
H20 | C24 | C25 | H21 | 79.2° | 74.9° |
H21 | C25 | C26 | H22 | 1.8° | 1.0° |
H22 | C26 | C27 | H23 | 49.6° | 77.1° |
H22 | C26 | C27 | H24 | 69.0° | 42.0° |
H23 | C27 | C28 | H25 | 36.9° | 163.8° |
H24 | C27 | C28 | H25 | 155.4° | 44.8° |
H26 | C3 | C4 | H27 | 0.2° | 0.0° |