TVF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C17 | C16 | doub | 1.38Å | 1.50Å | Aromatic |
C17 | C18 | sing | 1.38Å | 1.30Å | Aromatic |
C16 | C15 | sing | 1.38Å | 1.30Å | Aromatic |
C18 | C13 | doub | 1.40Å | 1.51Å | Aromatic |
C15 | C14 | doub | 1.38Å | 1.53Å | Aromatic |
C13 | C14 | sing | 1.40Å | 1.28Å | Aromatic |
C13 | C12 | sing | 1.48Å | 1.54Å | |
O1 | C12 | doub | 1.22Å | 1.14Å | |
C12 | N1 | sing | 1.35Å | 1.46Å | |
C11 | C8 | sing | 1.53Å | 1.55Å | |
C11 | C10 | sing | 1.53Å | 1.48Å | |
N1 | C8 | sing | 1.47Å | 1.43Å | |
N1 | C9 | sing | 1.47Å | 1.41Å | |
C7 | C8 | sing | 1.53Å | 1.52Å | |
C7 | C5 | sing | 1.51Å | 1.52Å | |
C8 | C10 | sing | 1.53Å | 1.53Å | |
C5 | C4 | doub | 1.39Å | 1.51Å | Aromatic |
C5 | C6 | sing | 1.38Å | 1.31Å | Aromatic |
C4 | C3 | sing | 1.38Å | 1.30Å | Aromatic |
C9 | C6 | sing | 1.51Å | 1.50Å | |
C9 | C19 | sing | 1.51Å | 1.51Å | |
C6 | C1 | doub | 1.39Å | 1.53Å | Aromatic |
C3 | O2 | sing | 1.36Å | 1.36Å | |
C3 | C2 | doub | 1.39Å | 1.51Å | Aromatic |
C1 | C2 | sing | 1.38Å | 1.29Å | Aromatic |
C19 | C20 | doub | 1.38Å | 1.31Å | Aromatic |
C19 | C24 | sing | 1.38Å | 1.51Å | Aromatic |
C20 | C21 | sing | 1.38Å | 1.51Å | Aromatic |
C24 | C23 | doub | 1.38Å | 1.29Å | Aromatic |
C21 | C22 | doub | 1.39Å | 1.30Å | Aromatic |
C23 | C22 | sing | 1.39Å | 1.52Å | Aromatic |
C22 | O3 | sing | 1.36Å | 1.39Å | |
O3 | C25 | sing | 1.43Å | 1.37Å | |
C25 | C26 | sing | 1.53Å | 1.52Å | |
C26 | N2 | sing | 1.47Å | 1.19Å | |
N2 | C27 | sing | 1.49Å | 1.41Å | |
N2 | C30 | sing | 1.49Å | 1.32Å | |
C27 | C28 | sing | 1.54Å | 1.51Å | |
C30 | C29 | sing | 1.54Å | 1.46Å | |
C28 | C29 | sing | 1.54Å | 1.41Å | |
C29 | C31 | sing | 1.53Å | 1.58Å | |
C4 | H1 | sing | 1.08Å | 1.08Å | |
C7 | H2 | sing | 1.09Å | 1.10Å | |
C7 | H3 | sing | 1.09Å | 1.10Å | |
C10 | H4 | sing | 1.09Å | 1.10Å | |
C10 | H5 | sing | 1.09Å | 1.10Å | |
C15 | H6 | sing | 1.08Å | 1.08Å | |
C17 | H7 | sing | 1.08Å | 1.08Å | |
C20 | H8 | sing | 1.08Å | 1.08Å | |
C21 | H9 | sing | 1.08Å | 1.08Å | |
C24 | H10 | sing | 1.08Å | 1.08Å | |
C26 | H11 | sing | 1.09Å | 1.10Å | |
C26 | H12 | sing | 1.09Å | 1.10Å | |
C28 | H13 | sing | 1.09Å | 1.10Å | |
C28 | H14 | sing | 1.09Å | 1.10Å | |
C1 | H15 | sing | 1.08Å | 1.08Å | |
C11 | H16 | sing | 1.09Å | 1.10Å | |
C11 | H17 | sing | 1.09Å | 1.10Å | |
C14 | H18 | sing | 1.08Å | 1.08Å | |
C16 | H19 | sing | 1.08Å | 1.08Å | |
C18 | H20 | sing | 1.08Å | 1.08Å | |
C2 | H21 | sing | 1.08Å | 1.08Å | |
C23 | H22 | sing | 1.08Å | 1.08Å | |
C25 | H23 | sing | 1.09Å | 1.10Å | |
C25 | H24 | sing | 1.09Å | 1.10Å | |
C27 | H25 | sing | 1.09Å | 1.10Å | |
C27 | H26 | sing | 1.09Å | 1.10Å | |
C29 | H27 | sing | 1.09Å | 1.10Å | |
C30 | H28 | sing | 1.09Å | 1.10Å | |
C30 | H29 | sing | 1.09Å | 1.10Å | |
C31 | H30 | sing | 1.09Å | 1.10Å | |
C31 | H31 | sing | 1.09Å | 1.10Å | |
C31 | H32 | sing | 1.09Å | 1.10Å | |
C9 | H33 | sing | 1.09Å | 1.10Å | |
O2 | H35 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C16 | C17 | C18 | 119.6° | 120.2° |
C17 | C16 | C15 | 119.0° | 120.3° |
C16 | C17 | H7 | 120.2° | 119.9° |
C17 | C16 | H19 | 120.5° | 119.9° |
C17 | C18 | C13 | 121.4° | 119.8° |
C18 | C17 | H7 | 120.2° | 119.9° |
C17 | C18 | H20 | 119.2° | 120.1° |
C16 | C15 | C14 | 121.3° | 120.1° |
C16 | C15 | H6 | 119.3° | 120.0° |
C15 | C16 | H19 | 120.5° | 119.8° |
C18 | C13 | C14 | 119.6° | 119.7° |
C18 | C13 | C12 | 118.2° | 120.2° |
C13 | C18 | H20 | 119.3° | 120.1° |
C15 | C14 | C13 | 119.0° | 119.9° |
C14 | C15 | H6 | 119.3° | 119.9° |
C15 | C14 | H18 | 120.5° | 120.1° |
C14 | C13 | C12 | 122.1° | 120.2° |
C13 | C14 | H18 | 120.5° | 120.0° |
C13 | C12 | O1 | 116.4° | 120.0° |
C13 | C12 | N1 | 126.8° | 120.0° |
O1 | C12 | N1 | 116.7° | 120.0° |
C12 | N1 | C8 | 120.8° | 121.6° |
C12 | N1 | C9 | 118.2° | 121.6° |
C8 | C11 | C10 | 60.8° | 59.9° |
C11 | C8 | N1 | 130.6° | 117.9° |
C11 | C8 | C7 | 104.3° | 118.5° |
C11 | C8 | C10 | 57.4° | 60.2° |
C8 | C11 | H16 | 119.9° | 117.5° |
C8 | C11 | H17 | 119.8° | 117.5° |
C11 | C10 | C8 | 61.8° | 59.9° |
C11 | C10 | H4 | 119.7° | 117.5° |
C11 | C10 | H5 | 119.7° | 117.5° |
C10 | C11 | H16 | 119.9° | 117.5° |
C10 | C11 | H17 | 119.9° | 117.5° |
C8 | N1 | C9 | 121.0° | 116.7° |
N1 | C8 | C7 | 111.8° | 113.6° |
N1 | C8 | C10 | 128.0° | 118.1° |
N1 | C9 | C6 | 112.0° | 110.5° |
N1 | C9 | C19 | 112.6° | 109.3° |
N1 | C9 | H33 | 107.7° | 109.3° |
C8 | C7 | C5 | 115.2° | 110.2° |
C7 | C8 | C10 | 113.6° | 118.6° |
C8 | C7 | H2 | 108.0° | 109.4° |
C8 | C7 | H3 | 108.0° | 109.3° |
C7 | C5 | C4 | 118.9° | 117.1° |
C7 | C5 | C6 | 121.4° | 123.2° |
C5 | C7 | H2 | 108.0° | 109.3° |
C5 | C7 | H3 | 108.0° | 109.3° |
C8 | C10 | H4 | 119.7° | 117.6° |
C8 | C10 | H5 | 119.7° | 117.5° |
C4 | C5 | C6 | 119.7° | 119.7° |
C5 | C4 | C3 | 119.0° | 120.7° |
C5 | C4 | H1 | 120.4° | 119.7° |
C5 | C6 | C9 | 123.1° | 123.5° |
C5 | C6 | C1 | 120.2° | 119.5° |
C4 | C3 | O2 | 118.8° | 120.3° |
C4 | C3 | C2 | 121.6° | 119.5° |
C3 | C4 | H1 | 120.5° | 119.6° |
C6 | C9 | C19 | 111.1° | 109.3° |
C9 | C6 | C1 | 116.7° | 117.0° |
C6 | C9 | H33 | 106.6° | 109.3° |
C9 | C19 | C20 | 119.6° | 120.0° |
C9 | C19 | C24 | 119.2° | 119.9° |
C19 | C9 | H33 | 106.6° | 109.1° |
C6 | C1 | C2 | 119.5° | 120.8° |
C6 | C1 | H15 | 120.3° | 119.6° |
O2 | C3 | C2 | 119.7° | 120.2° |
C3 | O2 | H35 | 109.5° | 114.0° |
C3 | C2 | C1 | 119.9° | 119.7° |
C3 | C2 | H21 | 120.0° | 120.1° |
C2 | C1 | H15 | 120.2° | 119.6° |
C1 | C2 | H21 | 120.1° | 120.2° |
C20 | C19 | C24 | 121.2° | 120.1° |
C19 | C20 | C21 | 119.2° | 120.1° |
C19 | C20 | H8 | 120.4° | 120.0° |
C19 | C24 | C23 | 118.8° | 120.0° |
C19 | C24 | H10 | 120.6° | 120.0° |
C20 | C21 | C22 | 120.1° | 119.9° |
C21 | C20 | H8 | 120.4° | 119.9° |
C20 | C21 | H9 | 120.0° | 120.1° |
C24 | C23 | C22 | 121.1° | 120.0° |
C23 | C24 | H10 | 120.6° | 120.0° |
C24 | C23 | H22 | 119.4° | 120.0° |
C21 | C22 | C23 | 119.6° | 119.9° |
C21 | C22 | O3 | 120.8° | 120.1° |
C22 | C21 | H9 | 120.0° | 120.0° |
C23 | C22 | O3 | 119.6° | 120.0° |
C22 | C23 | H22 | 119.4° | 120.0° |
C22 | O3 | C25 | 116.0° | 117.0° |
O3 | C25 | C26 | 104.6° | 109.5° |
O3 | C25 | H23 | 110.7° | 109.5° |
O3 | C25 | H24 | 110.7° | 109.5° |
C25 | C26 | N2 | 106.4° | 109.4° |
C25 | C26 | H11 | 110.2° | 109.5° |
C25 | C26 | H12 | 110.2° | 109.4° |
C26 | C25 | H23 | 110.7° | 109.5° |
C26 | C25 | H24 | 110.7° | 109.4° |
C26 | N2 | C27 | 110.0° | 111.0° |
C26 | N2 | C30 | 107.5° | 111.0° |
N2 | C26 | H11 | 110.2° | 109.5° |
N2 | C26 | H12 | 110.2° | 109.5° |
C27 | N2 | C30 | 107.9° | 104.2° |
N2 | C27 | C28 | 102.0° | 104.6° |
N2 | C27 | H25 | 111.3° | 110.4° |
N2 | C27 | H26 | 111.3° | 110.5° |
N2 | C30 | C29 | 103.8° | 104.6° |
N2 | C30 | H28 | 110.9° | 110.4° |
N2 | C30 | H29 | 110.9° | 110.5° |
C27 | C28 | C29 | 101.0° | 105.1° |
C27 | C28 | H13 | 111.5° | 110.3° |
C27 | C28 | H14 | 111.6° | 110.4° |
C28 | C27 | H25 | 111.3° | 110.4° |
C28 | C27 | H26 | 111.3° | 110.4° |
C30 | C29 | C28 | 109.8° | 105.1° |
C30 | C29 | C31 | 101.9° | 110.3° |
C30 | C29 | H27 | 111.8° | 110.4° |
C29 | C30 | H28 | 110.9° | 110.4° |
C29 | C30 | H29 | 110.9° | 110.4° |
C28 | C29 | C31 | 110.3° | 110.3° |
C29 | C28 | H13 | 111.6° | 110.3° |
C29 | C28 | H14 | 111.6° | 110.3° |
C28 | C29 | H27 | 112.5° | 110.3° |
C31 | C29 | H27 | 110.0° | 110.3° |
C29 | C31 | H30 | 109.5° | 109.5° |
C29 | C31 | H31 | 109.5° | 109.4° |
C29 | C31 | H32 | 109.5° | 109.4° |
H2 | C7 | H3 | 109.4° | 109.3° |
H4 | C10 | H5 | 109.5° | 115.6° |
H11 | C26 | H12 | 109.4° | 109.5° |
H13 | C28 | H14 | 109.5° | 110.2° |
H16 | C11 | H17 | 109.5° | 115.6° |
H23 | C25 | H24 | 109.5° | 109.4° |
H25 | C27 | H26 | 109.5° | 110.4° |
H28 | C30 | H29 | 109.5° | 110.4° |
H30 | C31 | H31 | 109.5° | 109.5° |
H30 | C31 | H32 | 109.4° | 109.5° |
H31 | C31 | H32 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C16 | C17 | C18 | H7 | 180.0° | 179.1° |
C17 | C16 | C15 | H19 | 180.0° | 179.2° |
C16 | C17 | C18 | C13 | 0.5° | 0.6° |
C17 | C16 | C15 | C14 | 0.8° | 0.5° |
C17 | C16 | C15 | H6 | 179.2° | 179.4° |
C16 | C17 | C18 | H20 | 179.5° | 179.5° |
C18 | C17 | C16 | C15 | 0.5° | 0.8° |
C17 | C18 | C13 | H20 | 180.0° | 179.9° |
C17 | C18 | C13 | C14 | 1.2° | 0.1° |
C17 | C18 | C13 | C12 | 178.4° | 179.7° |
C18 | C17 | C16 | H19 | 179.5° | 180.0° |
C16 | C15 | C14 | H6 | 180.0° | 179.9° |
C16 | C15 | C14 | C13 | 0.1° | 0.0° |
C15 | C16 | C17 | H7 | 179.5° | 180.0° |
C16 | C15 | C14 | H18 | 179.9° | 180.0° |
C18 | C13 | C14 | C15 | 0.9° | 0.3° |
C18 | C13 | C14 | C12 | 177.0° | 179.8° |
C18 | C13 | C12 | O1 | 108.4° | 56.3° |
C18 | C13 | C12 | N1 | 67.8° | 123.6° |
C13 | C18 | C17 | H7 | 179.5° | 179.7° |
C18 | C13 | C14 | H18 | 179.1° | 179.8° |
C15 | C14 | C13 | H18 | 180.0° | 180.0° |
C15 | C14 | C13 | C12 | 177.9° | 180.0° |
C14 | C15 | C16 | H19 | 179.2° | 179.7° |
C14 | C13 | C12 | O1 | 68.7° | 123.4° |
C14 | C13 | C12 | N1 | 115.1° | 56.6° |
C13 | C14 | C15 | H6 | 179.9° | 180.0° |
C14 | C13 | C18 | H20 | 178.8° | 180.0° |
C13 | C12 | O1 | N1 | 176.6° | 180.0° |
C13 | C12 | N1 | C8 | 4.5° | 175.2° |
C13 | C12 | N1 | C9 | 177.0° | 4.5° |
C12 | C13 | C14 | H18 | 2.1° | 0.0° |
C12 | C13 | C18 | H20 | 1.6° | 0.2° |
O1 | C12 | N1 | C8 | 179.3° | 4.7° |
O1 | C12 | N1 | C9 | 0.8° | 175.5° |
C12 | N1 | C8 | C11 | 0.1° | 22.8° |
C12 | N1 | C8 | C9 | 178.4° | 179.8° |
C12 | N1 | C8 | C7 | 134.1° | 122.4° |
C12 | N1 | C8 | C10 | 76.6° | 92.0° |
C12 | N1 | C9 | C6 | 140.3° | 138.4° |
C12 | N1 | C9 | C19 | 93.7° | 101.3° |
C12 | N1 | C9 | H33 | 23.4° | 18.0° |
C8 | C11 | C10 | H16 | 109.7° | 107.5° |
C8 | C11 | C10 | H17 | 109.7° | 107.5° |
C11 | C8 | N1 | C7 | 134.0° | 145.2° |
C11 | C8 | N1 | C10 | 76.7° | 69.3° |
C11 | C8 | N1 | C9 | 178.5° | 157.5° |
C11 | C8 | C7 | C10 | 60.3° | 69.7° |
C11 | C8 | C7 | C5 | 173.7° | 174.2° |
C11 | C8 | C7 | H2 | 52.9° | 54.0° |
C11 | C8 | C7 | H3 | 65.4° | 65.7° |
C8 | C11 | C10 | H4 | 109.9° | 107.5° |
C8 | C11 | C10 | H5 | 110.0° | 107.4° |
C8 | C11 | H16 | H17 | 144.3° | 145.8° |
C11 | C10 | H4 | H5 | 143.8° | 145.8° |
C10 | C11 | H16 | H17 | 144.3° | 145.7° |
N1 | C8 | C7 | C10 | 154.0° | 145.4° |
N1 | C8 | C7 | C5 | 28.1° | 40.9° |
C8 | N1 | C9 | C6 | 41.2° | 41.4° |
C8 | N1 | C9 | C19 | 84.7° | 78.9° |
N1 | C8 | C7 | H2 | 92.8° | 161.1° |
N1 | C8 | C7 | H3 | 148.9° | 79.3° |
N1 | C8 | C10 | H4 | 131.3° | 0.4° |
N1 | C8 | C10 | H5 | 8.8° | 144.7° |
N1 | C8 | C11 | H16 | 135.8° | 144.5° |
N1 | C8 | C11 | H17 | 4.8° | 0.7° |
C8 | N1 | C9 | H33 | 158.1° | 161.7° |
C9 | N1 | C8 | C7 | 47.5° | 57.4° |
C9 | N1 | C8 | C10 | 101.8° | 88.2° |
N1 | C9 | C6 | C5 | 16.6° | 14.8° |
N1 | C9 | C6 | C19 | 126.8° | 120.3° |
N1 | C9 | C6 | H33 | 117.6° | 120.3° |
N1 | C9 | C19 | H33 | 117.8° | 119.4° |
N1 | C9 | C6 | C1 | 165.2° | 166.3° |
N1 | C9 | C19 | C20 | 100.8° | 60.9° |
N1 | C9 | C19 | C24 | 79.3° | 119.1° |
C8 | C7 | C5 | H2 | 120.9° | 120.2° |
C8 | C7 | C5 | H3 | 120.8° | 120.2° |
C8 | C7 | C5 | C4 | 173.7° | 165.0° |
C8 | C7 | C5 | C6 | 7.8° | 16.1° |
C8 | C7 | H2 | H3 | 117.4° | 119.7° |
C7 | C8 | C10 | H4 | 17.6° | 144.2° |
C7 | C8 | C10 | H5 | 157.7° | 0.8° |
C7 | C8 | C11 | H16 | 0.6° | 1.0° |
C7 | C8 | C11 | H17 | 141.2° | 144.1° |
C5 | C7 | C8 | C10 | 125.9° | 104.5° |
C7 | C5 | C4 | C6 | 178.5° | 179.0° |
C7 | C5 | C4 | C3 | 179.0° | 178.1° |
C7 | C5 | C6 | C9 | 1.8° | 3.6° |
C7 | C5 | C6 | C1 | 179.9° | 177.5° |
C7 | C5 | C4 | H1 | 0.9° | 1.9° |
C5 | C7 | H2 | H3 | 117.4° | 119.6° |
C10 | C8 | C7 | H2 | 113.2° | 15.7° |
C10 | C8 | C7 | H3 | 5.1° | 135.3° |
C8 | C10 | H4 | H5 | 143.8° | 145.7° |
C5 | C4 | C3 | H1 | 180.0° | 179.9° |
C4 | C5 | C6 | C9 | 179.7° | 177.5° |
C4 | C5 | C6 | C1 | 1.6° | 1.3° |
C5 | C4 | C3 | O2 | 179.7° | 180.0° |
C5 | C4 | C3 | C2 | 0.6° | 0.0° |
C4 | C5 | C7 | H2 | 65.4° | 44.7° |
C4 | C5 | C7 | H3 | 52.9° | 74.9° |
C6 | C5 | C4 | C3 | 0.6° | 0.9° |
C5 | C6 | C9 | C1 | 178.2° | 178.9° |
C5 | C6 | C9 | C19 | 110.2° | 105.5° |
C5 | C6 | C1 | C2 | 1.7° | 0.9° |
C6 | C5 | C4 | H1 | 179.4° | 179.2° |
C6 | C5 | C7 | H2 | 113.0° | 136.3° |
C6 | C5 | C7 | H3 | 128.7° | 104.1° |
C5 | C6 | C1 | H15 | 178.4° | 179.1° |
C5 | C6 | C9 | H33 | 134.1° | 135.1° |
C4 | C3 | O2 | C2 | 179.1° | 180.0° |
C4 | C3 | C2 | C1 | 0.6° | 0.4° |
C4 | C3 | C2 | H21 | 179.4° | 179.6° |
C4 | C3 | O2 | H35 | 180.0° | 89.9° |
C6 | C9 | C19 | H33 | 115.7° | 119.5° |
C9 | C6 | C1 | C2 | 179.9° | 178.0° |
C6 | C9 | C19 | C20 | 132.8° | 60.1° |
C6 | C9 | C19 | C24 | 47.1° | 119.9° |
C9 | C6 | C1 | H15 | 0.1° | 2.0° |
C19 | C9 | C6 | C1 | 68.0° | 73.4° |
C9 | C19 | C20 | C24 | 180.0° | 179.9° |
C9 | C19 | C20 | C21 | 179.9° | 180.0° |
C9 | C19 | C24 | C23 | 179.9° | 179.5° |
C9 | C19 | C20 | H8 | 0.1° | 0.2° |
C9 | C19 | C24 | H10 | 0.1° | 0.3° |
C6 | C1 | C2 | C3 | 0.5° | 0.1° |
C6 | C1 | C2 | H15 | 180.0° | 180.0° |
C6 | C1 | C2 | H21 | 179.5° | 180.0° |
C1 | C6 | C9 | H33 | 47.7° | 46.0° |
O2 | C3 | C2 | C1 | 179.7° | 179.6° |
O2 | C3 | C4 | H1 | 0.3° | 0.1° |
O2 | C3 | C2 | H21 | 0.3° | 0.4° |
C3 | C2 | C1 | H21 | 180.0° | 180.0° |
C2 | C3 | C4 | H1 | 179.4° | 179.9° |
C3 | C2 | C1 | H15 | 179.5° | 180.0° |
C2 | C3 | O2 | H35 | 0.9° | 90.1° |
C19 | C20 | C21 | H8 | 180.0° | 179.8° |
C20 | C19 | C24 | C23 | 0.2° | 0.6° |
C19 | C20 | C21 | C22 | 0.4° | 0.2° |
C19 | C20 | C21 | H9 | 179.7° | 179.8° |
C20 | C19 | C24 | H10 | 179.8° | 179.8° |
C20 | C19 | C9 | H33 | 17.1° | 179.7° |
C24 | C19 | C20 | C21 | 0.1° | 0.0° |
C19 | C24 | C23 | H10 | 180.0° | 179.2° |
C19 | C24 | C23 | C22 | 0.7° | 0.8° |
C24 | C19 | C20 | H8 | 179.9° | 179.7° |
C19 | C24 | C23 | H22 | 179.3° | 180.0° |
C24 | C19 | C9 | H33 | 162.9° | 0.4° |
C20 | C21 | C22 | H9 | 180.0° | 180.0° |
C20 | C21 | C22 | C23 | 0.9° | 0.0° |
C20 | C21 | C22 | O3 | 179.9° | 180.0° |
C24 | C23 | C22 | C21 | 1.1° | 0.5° |
C24 | C23 | C22 | H22 | 180.0° | 179.2° |
C24 | C23 | C22 | O3 | 179.6° | 179.5° |
C21 | C22 | C23 | O3 | 179.3° | 180.0° |
C21 | C22 | O3 | C25 | 23.4° | 180.0° |
C22 | C21 | C20 | H8 | 179.7° | 180.0° |
C21 | C22 | C23 | H22 | 178.9° | 179.8° |
C23 | C22 | O3 | C25 | 157.4° | 0.1° |
C23 | C22 | C21 | H9 | 179.1° | 180.0° |
C22 | C23 | C24 | H10 | 179.3° | 180.0° |
C22 | O3 | C25 | C26 | 164.1° | 180.0° |
O3 | C22 | C21 | H9 | 0.1° | 0.0° |
O3 | C22 | C23 | H22 | 0.4° | 0.3° |
C22 | O3 | C25 | H23 | 76.6° | 60.0° |
C22 | O3 | C25 | H24 | 44.9° | 60.0° |
O3 | C25 | C26 | H23 | 119.3° | 120.0° |
O3 | C25 | C26 | H24 | 119.2° | 120.1° |
O3 | C25 | C26 | N2 | 82.5° | 65.0° |
O3 | C25 | C26 | H11 | 37.0° | 174.9° |
O3 | C25 | C26 | H12 | 157.9° | 55.0° |
O3 | C25 | H23 | H24 | 122.2° | 120.0° |
C25 | C26 | N2 | H11 | 119.5° | 120.0° |
C25 | C26 | N2 | H12 | 119.5° | 119.9° |
C25 | C26 | N2 | C27 | 92.7° | 70.0° |
C25 | C26 | N2 | C30 | 150.2° | 174.7° |
C25 | C26 | H11 | H12 | 121.4° | 120.0° |
C26 | C25 | H23 | H24 | 122.3° | 119.9° |
C26 | N2 | C27 | C30 | 116.9° | 119.5° |
C26 | N2 | C27 | C28 | 158.0° | 159.0° |
C26 | N2 | C30 | C29 | 153.8° | 159.0° |
N2 | C26 | H11 | H12 | 121.4° | 120.0° |
N2 | C26 | C25 | H23 | 158.2° | 175.0° |
N2 | C26 | C25 | H24 | 36.7° | 55.1° |
C26 | N2 | C27 | H25 | 83.2° | 40.2° |
C26 | N2 | C27 | H26 | 39.2° | 82.2° |
C26 | N2 | C30 | H28 | 34.8° | 82.2° |
C26 | N2 | C30 | H29 | 87.1° | 40.2° |
N2 | C27 | C28 | H25 | 118.8° | 118.8° |
N2 | C27 | C28 | H26 | 118.8° | 118.9° |
C27 | N2 | C30 | C29 | 35.3° | 39.5° |
N2 | C27 | C28 | C29 | 28.3° | 23.9° |
C27 | N2 | C26 | H11 | 26.9° | 50.1° |
C27 | N2 | C26 | H12 | 147.8° | 170.1° |
N2 | C27 | C28 | H13 | 90.3° | 95.1° |
N2 | C27 | C28 | H14 | 147.0° | 142.8° |
N2 | C27 | H25 | H26 | 123.5° | 122.5° |
C27 | N2 | C30 | H28 | 83.8° | 158.3° |
C27 | N2 | C30 | H29 | 154.4° | 79.3° |
C30 | N2 | C27 | C28 | 41.1° | 39.5° |
N2 | C30 | C29 | H28 | 119.1° | 118.8° |
N2 | C30 | C29 | H29 | 119.1° | 118.9° |
N2 | C30 | C29 | C28 | 15.3° | 23.9° |
N2 | C30 | C29 | C31 | 132.3° | 142.8° |
C30 | N2 | C26 | H11 | 90.3° | 65.3° |
C30 | N2 | C26 | H12 | 30.6° | 54.7° |
C30 | N2 | C27 | H25 | 159.9° | 79.3° |
C30 | N2 | C27 | H26 | 77.7° | 158.3° |
N2 | C30 | C29 | H27 | 110.3° | 95.1° |
N2 | C30 | H28 | H29 | 122.6° | 122.5° |
C27 | C28 | C29 | C30 | 8.9° | 0.0° |
C27 | C28 | C29 | H13 | 118.6° | 118.9° |
C27 | C28 | C29 | H14 | 118.6° | 119.0° |
C27 | C28 | C29 | C31 | 102.7° | 118.9° |
C27 | C28 | H13 | H14 | 124.0° | 122.2° |
C28 | C27 | H25 | H26 | 123.4° | 122.3° |
C27 | C28 | C29 | H27 | 134.0° | 119.0° |
C30 | C29 | C28 | C31 | 111.5° | 118.9° |
C30 | C29 | C28 | H27 | 125.2° | 119.0° |
C30 | C29 | C31 | H27 | 118.7° | 122.2° |
C30 | C29 | C28 | H13 | 109.7° | 118.9° |
C30 | C29 | C28 | H14 | 127.5° | 119.0° |
C29 | C30 | H28 | H29 | 122.6° | 122.4° |
C30 | C29 | C31 | H30 | 180.0° | 57.1° |
C30 | C29 | C31 | H31 | 60.0° | 62.9° |
C30 | C29 | C31 | H32 | 60.0° | 177.1° |
C28 | C29 | C31 | H27 | 124.7° | 122.1° |
C29 | C28 | H13 | H14 | 124.0° | 122.1° |
C29 | C28 | C27 | H25 | 147.1° | 94.9° |
C29 | C28 | C27 | H26 | 90.5° | 142.8° |
C28 | C29 | C30 | H28 | 103.7° | 142.6° |
C28 | C29 | C30 | H29 | 134.4° | 95.0° |
C28 | C29 | C31 | H30 | 63.5° | 58.6° |
C28 | C29 | C31 | H31 | 56.6° | 178.5° |
C28 | C29 | C31 | H32 | 176.5° | 61.5° |
C31 | C29 | C28 | H13 | 138.7° | 122.2° |
C31 | C29 | C28 | H14 | 15.9° | 0.1° |
C31 | C29 | C30 | H28 | 13.2° | 98.5° |
C31 | C29 | C30 | H29 | 108.6° | 23.9° |
C29 | C31 | H30 | H31 | 120.0° | 119.9° |
C29 | C31 | H30 | H32 | 120.0° | 120.0° |
C29 | C31 | H31 | H32 | 120.0° | 119.9° |
H4 | C10 | C11 | H16 | 0.2° | 145.0° |
H4 | C10 | C11 | H17 | 140.4° | 0.0° |
H5 | C10 | C11 | H16 | 140.3° | 0.0° |
H5 | C10 | C11 | H17 | 0.3° | 145.1° |
H6 | C15 | C14 | H18 | 0.1° | 0.1° |
H6 | C15 | C16 | H19 | 0.8° | 0.3° |
H7 | C17 | C16 | H19 | 0.5° | 0.9° |
H7 | C17 | C18 | H20 | 0.5° | 0.3° |
H8 | C20 | C21 | H9 | 0.3° | 0.0° |
H10 | C24 | C23 | H22 | 0.7° | 0.8° |
H11 | C26 | C25 | H23 | 82.2° | 54.9° |
H11 | C26 | C25 | H24 | 156.2° | 65.0° |
H12 | C26 | C25 | H23 | 38.7° | 65.0° |
H12 | C26 | C25 | H24 | 82.9° | 175.1° |
H13 | C28 | C27 | H25 | 28.5° | 146.1° |
H13 | C28 | C27 | H26 | 150.9° | 23.8° |
H13 | C28 | C29 | H27 | 15.4° | 0.1° |
H14 | C28 | C27 | H25 | 94.2° | 24.0° |
H14 | C28 | C27 | H26 | 28.2° | 98.3° |
H14 | C28 | C29 | H27 | 107.3° | 122.0° |
H15 | C1 | C2 | H21 | 0.5° | 0.0° |
H27 | C29 | C30 | H28 | 130.7° | 23.7° |
H27 | C29 | C30 | H29 | 8.8° | 146.0° |
H27 | C29 | C31 | H30 | 61.3° | 179.3° |
H27 | C29 | C31 | H31 | 178.7° | 59.3° |
H27 | C29 | C31 | H32 | 58.7° | 60.7° |
H30 | C31 | H31 | H32 | 120.0° | 120.1° |