ZF7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F6 | C26 | sing | 1.40Å | 1.34Å | |
C11 | C10 | sing | 1.54Å | 1.55Å | |
C11 | C16 | sing | 1.55Å | 1.55Å | |
F5 | C26 | sing | 1.40Å | 1.34Å | |
C10 | C9 | sing | 1.55Å | 1.52Å | |
F2 | C20 | sing | 1.40Å | 1.34Å | |
F3 | C20 | sing | 1.40Å | 1.34Å | |
F1 | C20 | sing | 1.40Å | 1.34Å | |
C26 | F4 | sing | 1.40Å | 1.34Å | |
C26 | C25 | sing | 1.53Å | 1.53Å | |
C20 | C19 | sing | 1.51Å | 1.50Å | |
C27 | C25 | sing | 1.53Å | 1.53Å | |
C27 | C28 | sing | 1.53Å | 1.53Å | |
C16 | C15 | sing | 1.54Å | 1.52Å | |
C16 | N1 | sing | 1.49Å | 1.48Å | |
C9 | C12 | sing | 1.54Å | 1.52Å | |
C9 | N1 | sing | 1.49Å | 1.47Å | |
C15 | C13 | sing | 1.53Å | 1.53Å | |
C25 | C24 | sing | 1.53Å | 1.53Å | |
O1 | C14 | doub | 1.21Å | 1.21Å | |
C12 | C13 | sing | 1.53Å | 1.53Å | |
N1 | C7 | sing | 1.47Å | 1.48Å | |
C28 | C22 | sing | 1.53Å | 1.51Å | |
C7 | C8 | sing | 1.53Å | 1.52Å | |
C7 | C6 | sing | 1.51Å | 1.52Å | |
C17 | C6 | doub | 1.36Å | 1.39Å | Aromatic |
C17 | C18 | sing | 1.41Å | 1.41Å | Aromatic |
C14 | C13 | sing | 1.51Å | 1.53Å | |
C14 | O2 | sing | 1.34Å | 1.21Å | |
C19 | C18 | doub | 1.40Å | 1.43Å | Aromatic |
C19 | C21 | sing | 1.37Å | 1.38Å | Aromatic |
O3 | C21 | sing | 1.36Å | 1.37Å | |
O3 | C22 | sing | 1.43Å | 1.48Å | |
C24 | C23 | sing | 1.53Å | 1.53Å | |
C6 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
C18 | C3 | sing | 1.42Å | 1.42Å | Aromatic |
C21 | C1 | doub | 1.40Å | 1.41Å | Aromatic |
C22 | C23 | sing | 1.53Å | 1.51Å | |
C5 | C4 | doub | 1.36Å | 1.37Å | Aromatic |
C3 | C4 | sing | 1.41Å | 1.42Å | Aromatic |
C3 | C2 | doub | 1.41Å | 1.41Å | Aromatic |
C1 | C2 | sing | 1.36Å | 1.35Å | Aromatic |
C4 | H2 | sing | 1.08Å | 1.08Å | |
C5 | H3 | sing | 1.08Å | 1.08Å | |
C7 | H4 | sing | 1.09Å | 1.10Å | |
C8 | H5 | sing | 1.09Å | 1.10Å | |
C8 | H6 | sing | 1.09Å | 1.10Å | |
C8 | H7 | sing | 1.09Å | 1.10Å | |
C10 | H8 | sing | 1.09Å | 1.10Å | |
C10 | H9 | sing | 1.09Å | 1.10Å | |
C13 | H10 | sing | 1.09Å | 1.10Å | |
C15 | H11 | sing | 1.09Å | 1.10Å | |
C15 | H12 | sing | 1.09Å | 1.10Å | |
C17 | H13 | sing | 1.08Å | 1.08Å | |
C22 | H14 | sing | 1.09Å | 1.10Å | |
C24 | H15 | sing | 1.09Å | 1.10Å | |
C24 | H16 | sing | 1.09Å | 1.10Å | |
C28 | H17 | sing | 1.09Å | 1.10Å | |
C28 | H18 | sing | 1.09Å | 1.10Å | |
C1 | H19 | sing | 1.08Å | 1.08Å | |
C11 | H20 | sing | 1.09Å | 1.10Å | |
C11 | H21 | sing | 1.09Å | 1.10Å | |
C12 | H22 | sing | 1.09Å | 1.10Å | |
C12 | H23 | sing | 1.09Å | 1.10Å | |
C16 | H24 | sing | 1.09Å | 1.10Å | |
C2 | H25 | sing | 1.08Å | 1.08Å | |
C23 | H26 | sing | 1.09Å | 1.10Å | |
C23 | H27 | sing | 1.09Å | 1.10Å | |
C25 | H28 | sing | 1.09Å | 1.10Å | |
C27 | H29 | sing | 1.09Å | 1.10Å | |
C27 | H30 | sing | 1.09Å | 1.10Å | |
C9 | H31 | sing | 1.09Å | 1.10Å | |
O2 | H32 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F6 | C26 | F5 | 106.6° | 109.4° |
F6 | C26 | F4 | 106.5° | 109.5° |
F6 | C26 | C25 | 112.4° | 109.4° |
C10 | C11 | C16 | 103.6° | 104.8° |
C11 | C10 | C9 | 102.3° | 104.9° |
C11 | C10 | H8 | 111.2° | 110.4° |
C11 | C10 | H9 | 111.3° | 110.4° |
C10 | C11 | H20 | 110.9° | 110.4° |
C10 | C11 | H21 | 110.9° | 110.3° |
C11 | C16 | C15 | 115.0° | 107.8° |
C11 | C16 | N1 | 104.3° | 104.3° |
C16 | C11 | H20 | 110.9° | 110.4° |
C16 | C11 | H21 | 110.9° | 110.4° |
C11 | C16 | H24 | 109.1° | 112.2° |
F5 | C26 | F4 | 106.4° | 109.5° |
F5 | C26 | C25 | 112.4° | 109.5° |
C10 | C9 | C12 | 113.2° | 107.8° |
C10 | C9 | N1 | 101.7° | 104.2° |
C9 | C10 | H8 | 111.3° | 110.4° |
C9 | C10 | H9 | 111.2° | 110.4° |
C10 | C9 | H31 | 110.1° | 112.2° |
F2 | C20 | F3 | 106.5° | 109.5° |
F2 | C20 | F1 | 106.3° | 109.5° |
F2 | C20 | C19 | 112.4° | 109.5° |
F3 | C20 | F1 | 106.1° | 109.4° |
F3 | C20 | C19 | 112.8° | 109.5° |
F1 | C20 | C19 | 112.2° | 109.5° |
F4 | C26 | C25 | 112.2° | 109.5° |
C26 | C25 | C27 | 112.1° | 109.4° |
C26 | C25 | C24 | 111.7° | 109.5° |
C26 | C25 | H28 | 108.0° | 109.5° |
C20 | C19 | C18 | 120.5° | 120.2° |
C20 | C19 | C21 | 120.5° | 120.2° |
C25 | C27 | C28 | 111.5° | 109.5° |
C27 | C25 | C24 | 108.9° | 109.5° |
C27 | C25 | H28 | 108.0° | 109.5° |
C25 | C27 | H29 | 109.0° | 109.5° |
C25 | C27 | H30 | 109.0° | 109.5° |
C27 | C28 | C22 | 112.0° | 109.5° |
C27 | C28 | H17 | 108.8° | 109.4° |
C27 | C28 | H18 | 108.8° | 109.5° |
C28 | C27 | H29 | 109.0° | 109.5° |
C28 | C27 | H30 | 109.0° | 109.5° |
C15 | C16 | N1 | 108.7° | 107.3° |
C16 | C15 | C13 | 111.8° | 108.9° |
C16 | C15 | H11 | 108.9° | 109.6° |
C16 | C15 | H12 | 108.9° | 109.7° |
C15 | C16 | H24 | 109.5° | 112.6° |
C16 | N1 | C9 | 100.0° | 103.4° |
C16 | N1 | C7 | 112.8° | 111.0° |
N1 | C16 | H24 | 110.1° | 112.3° |
C12 | C9 | N1 | 110.8° | 107.3° |
C9 | C12 | C13 | 112.8° | 108.9° |
C9 | C12 | H22 | 108.6° | 109.5° |
C9 | C12 | H23 | 108.6° | 109.7° |
C12 | C9 | H31 | 110.1° | 112.1° |
C9 | N1 | C7 | 113.9° | 111.0° |
N1 | C9 | H31 | 110.8° | 112.7° |
C15 | C13 | C12 | 111.3° | 109.8° |
C15 | C13 | C14 | 111.9° | 109.4° |
C15 | C13 | H10 | 107.1° | 109.5° |
C13 | C15 | H11 | 108.9° | 109.6° |
C13 | C15 | H12 | 108.9° | 109.6° |
C25 | C24 | C23 | 111.5° | 109.5° |
C25 | C24 | H15 | 109.0° | 109.5° |
C25 | C24 | H16 | 108.9° | 109.5° |
C24 | C25 | H28 | 108.0° | 109.5° |
O1 | C14 | C13 | 118.3° | 120.0° |
O1 | C14 | O2 | 123.4° | 120.0° |
C12 | C13 | C14 | 112.0° | 109.3° |
C12 | C13 | H10 | 107.1° | 109.4° |
C13 | C12 | H22 | 108.6° | 109.5° |
C13 | C12 | H23 | 108.6° | 109.6° |
N1 | C7 | C8 | 110.6° | 109.5° |
N1 | C7 | C6 | 112.3° | 109.5° |
N1 | C7 | H4 | 107.6° | 109.5° |
C28 | C22 | O3 | 108.0° | 109.5° |
C28 | C22 | C23 | 111.1° | 109.4° |
C28 | C22 | H14 | 108.9° | 109.5° |
C22 | C28 | H17 | 108.8° | 109.4° |
C22 | C28 | H18 | 108.8° | 109.5° |
C8 | C7 | C6 | 112.1° | 109.5° |
C8 | C7 | H4 | 107.0° | 109.5° |
C7 | C8 | H5 | 109.5° | 109.4° |
C7 | C8 | H6 | 109.4° | 109.5° |
C7 | C8 | H7 | 109.5° | 109.5° |
C7 | C6 | C17 | 120.7° | 119.5° |
C7 | C6 | C5 | 120.5° | 119.5° |
C6 | C7 | H4 | 107.0° | 109.5° |
C6 | C17 | C18 | 121.4° | 119.7° |
C17 | C6 | C5 | 118.8° | 121.0° |
C6 | C17 | H13 | 119.3° | 120.2° |
C17 | C18 | C19 | 122.4° | 121.3° |
C17 | C18 | C3 | 118.5° | 119.3° |
C18 | C17 | H13 | 119.3° | 120.1° |
C13 | C14 | O2 | 118.3° | 120.0° |
C14 | C13 | H10 | 107.1° | 109.4° |
C14 | O2 | H32 | 109.5° | 117.0° |
C18 | C19 | C21 | 119.0° | 119.6° |
C19 | C18 | C3 | 119.1° | 119.4° |
C19 | C21 | O3 | 116.4° | 119.5° |
C19 | C21 | C1 | 121.2° | 120.9° |
C21 | O3 | C22 | 122.1° | 117.0° |
O3 | C21 | C1 | 122.4° | 119.6° |
O3 | C22 | C23 | 110.7° | 109.5° |
O3 | C22 | H14 | 109.3° | 109.5° |
C24 | C23 | C22 | 112.2° | 109.5° |
C23 | C24 | H15 | 108.9° | 109.4° |
C23 | C24 | H16 | 109.0° | 109.5° |
C24 | C23 | H26 | 108.8° | 109.5° |
C24 | C23 | H27 | 108.8° | 109.5° |
C6 | C5 | C4 | 121.1° | 121.0° |
C6 | C5 | H3 | 119.4° | 119.5° |
C18 | C3 | C4 | 119.2° | 119.4° |
C18 | C3 | C2 | 119.0° | 119.5° |
C21 | C1 | C2 | 120.5° | 121.0° |
C21 | C1 | H19 | 119.8° | 119.5° |
C23 | C22 | H14 | 108.8° | 109.4° |
C22 | C23 | H26 | 108.8° | 109.5° |
C22 | C23 | H27 | 108.8° | 109.4° |
C5 | C4 | C3 | 120.9° | 119.6° |
C5 | C4 | H2 | 119.6° | 120.2° |
C4 | C5 | H3 | 119.4° | 119.5° |
C4 | C3 | C2 | 121.8° | 121.2° |
C3 | C4 | H2 | 119.6° | 120.1° |
C3 | C2 | C1 | 121.2° | 119.7° |
C3 | C2 | H25 | 119.4° | 120.1° |
C2 | C1 | H19 | 119.8° | 119.5° |
C1 | C2 | H25 | 119.4° | 120.2° |
H5 | C8 | H6 | 109.5° | 109.5° |
H5 | C8 | H7 | 109.5° | 109.5° |
H6 | C8 | H7 | 109.5° | 109.5° |
H8 | C10 | H9 | 109.5° | 110.3° |
H11 | C15 | H12 | 109.5° | 109.6° |
H15 | C24 | H16 | 109.5° | 109.5° |
H17 | C28 | H18 | 109.5° | 109.5° |
H20 | C11 | H21 | 109.5° | 110.4° |
H22 | C12 | H23 | 109.5° | 109.6° |
H26 | C23 | H27 | 109.4° | 109.4° |
H29 | C27 | H30 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F6 | C26 | F5 | F4 | 113.3° | 120.0° |
F6 | C26 | F5 | C25 | 123.5° | 119.9° |
F6 | C26 | F4 | C25 | 123.4° | 120.0° |
F6 | C26 | C25 | C27 | 53.1° | 180.0° |
F6 | C26 | C25 | C24 | 175.6° | 60.0° |
F6 | C26 | C25 | H28 | 65.7° | 60.0° |
C10 | C11 | C16 | H20 | 119.1° | 118.9° |
C10 | C11 | C16 | H21 | 119.1° | 118.8° |
C11 | C10 | C9 | H8 | 118.8° | 118.9° |
C11 | C10 | C9 | H9 | 118.9° | 118.9° |
C10 | C11 | C16 | C15 | 100.0° | 88.6° |
C10 | C11 | C16 | N1 | 18.9° | 25.2° |
C11 | C10 | C9 | C12 | 78.0° | 88.6° |
C11 | C10 | C9 | N1 | 40.8° | 25.1° |
C11 | C10 | H8 | H9 | 123.3° | 122.3° |
C10 | C11 | H20 | H21 | 122.7° | 122.3° |
C10 | C11 | C16 | H24 | 136.5° | 147.0° |
C11 | C10 | C9 | H31 | 158.3° | 147.4° |
C16 | C11 | C10 | C9 | 13.1° | 0.0° |
C11 | C16 | C15 | N1 | 116.4° | 111.8° |
C11 | C16 | C15 | H24 | 123.3° | 124.3° |
C11 | C16 | N1 | H24 | 116.9° | 121.7° |
C11 | C16 | N1 | C9 | 44.5° | 41.6° |
C11 | C16 | C15 | C13 | 89.5° | 47.7° |
C11 | C16 | N1 | C7 | 76.9° | 77.5° |
C16 | C11 | C10 | H8 | 131.9° | 118.9° |
C16 | C11 | C10 | H9 | 105.8° | 118.9° |
C11 | C16 | C15 | H11 | 150.1° | 72.2° |
C11 | C16 | C15 | H12 | 30.8° | 167.5° |
C16 | C11 | H20 | H21 | 122.7° | 122.3° |
F5 | C26 | F4 | C25 | 123.3° | 120.1° |
F5 | C26 | C25 | C27 | 67.1° | 60.0° |
F5 | C26 | C25 | C24 | 55.4° | 180.0° |
F5 | C26 | C25 | H28 | 174.1° | 59.9° |
C10 | C9 | N1 | C16 | 53.3° | 41.6° |
C10 | C9 | C12 | N1 | 113.4° | 111.7° |
C10 | C9 | C12 | H31 | 123.7° | 124.0° |
C10 | C9 | N1 | H31 | 116.9° | 122.0° |
C10 | C9 | C12 | C13 | 106.0° | 47.6° |
C10 | C9 | N1 | C7 | 67.3° | 77.5° |
C9 | C10 | H8 | H9 | 123.3° | 122.2° |
C9 | C10 | C11 | H20 | 132.2° | 118.8° |
C9 | C10 | C11 | H21 | 106.0° | 118.8° |
C10 | C9 | C12 | H22 | 14.5° | 167.4° |
C10 | C9 | C12 | H23 | 133.5° | 72.3° |
F2 | C20 | F3 | F1 | 113.0° | 120.0° |
F2 | C20 | F3 | C19 | 123.8° | 120.0° |
F2 | C20 | F1 | C19 | 123.2° | 120.0° |
F2 | C20 | C19 | C18 | 69.4° | 175.0° |
F2 | C20 | C19 | C21 | 111.1° | 5.0° |
F3 | C20 | F1 | C19 | 123.6° | 120.0° |
F3 | C20 | C19 | C18 | 51.0° | 55.0° |
F3 | C20 | C19 | C21 | 128.5° | 125.1° |
F1 | C20 | C19 | C18 | 170.8° | 65.0° |
F1 | C20 | C19 | C21 | 8.7° | 115.0° |
F4 | C26 | C25 | C27 | 173.1° | 60.0° |
F4 | C26 | C25 | C24 | 64.4° | 60.0° |
F4 | C26 | C25 | H28 | 54.3° | 180.0° |
C26 | C25 | C27 | C24 | 124.1° | 120.0° |
C26 | C25 | C27 | H28 | 118.8° | 120.0° |
C26 | C25 | C27 | C28 | 178.6° | 180.0° |
C26 | C25 | C24 | H28 | 118.6° | 120.0° |
C26 | C25 | C24 | C23 | 178.8° | 180.0° |
C26 | C25 | C24 | H15 | 60.9° | 60.1° |
C26 | C25 | C24 | H16 | 58.5° | 60.0° |
C26 | C25 | C27 | H29 | 58.3° | 60.0° |
C26 | C25 | C27 | H30 | 61.1° | 60.0° |
C20 | C19 | C18 | C17 | 0.4° | 0.0° |
C20 | C19 | C18 | C21 | 179.5° | 180.0° |
C20 | C19 | C21 | O3 | 0.3° | 0.2° |
C20 | C19 | C18 | C3 | 179.9° | 179.7° |
C20 | C19 | C21 | C1 | 179.5° | 180.0° |
C25 | C27 | C28 | H29 | 120.3° | 120.0° |
C25 | C27 | C28 | H30 | 120.3° | 120.0° |
C27 | C25 | C24 | H28 | 117.0° | 120.0° |
C25 | C27 | C28 | C22 | 56.5° | 60.0° |
C27 | C25 | C24 | C23 | 56.8° | 60.0° |
C27 | C25 | C24 | H15 | 63.5° | 180.0° |
C27 | C25 | C24 | H16 | 177.2° | 60.0° |
C25 | C27 | C28 | H17 | 63.8° | 180.0° |
C25 | C27 | C28 | H18 | 176.9° | 60.0° |
C25 | C27 | H29 | H30 | 119.1° | 120.0° |
C28 | C27 | C25 | C24 | 57.2° | 60.0° |
C27 | C28 | C22 | H17 | 120.4° | 120.0° |
C27 | C28 | C22 | H18 | 120.4° | 120.1° |
C27 | C28 | C22 | O3 | 68.3° | 59.9° |
C27 | C28 | C22 | C23 | 53.3° | 60.0° |
C27 | C28 | C22 | H14 | 173.2° | 180.0° |
C27 | C28 | H17 | H18 | 118.8° | 120.0° |
C28 | C27 | C25 | H28 | 59.8° | 60.0° |
C28 | C27 | H29 | H30 | 119.1° | 120.0° |
C15 | C16 | N1 | H24 | 119.9° | 124.1° |
C15 | C16 | N1 | C9 | 78.6° | 72.6° |
C16 | C15 | C13 | H11 | 120.3° | 119.8° |
C16 | C15 | C13 | H12 | 120.3° | 119.9° |
C16 | C15 | C13 | C12 | 33.7° | 54.0° |
C15 | C16 | N1 | C7 | 160.0° | 168.3° |
C16 | C15 | C13 | C14 | 159.9° | 66.0° |
C16 | C15 | C13 | H10 | 83.0° | 174.1° |
C16 | C15 | H11 | H12 | 119.0° | 120.4° |
C15 | C16 | C11 | H20 | 140.9° | 152.5° |
C15 | C16 | C11 | H21 | 19.0° | 30.2° |
C16 | N1 | C9 | C12 | 67.2° | 72.5° |
C16 | N1 | C9 | C7 | 120.6° | 119.1° |
N1 | C16 | C15 | C13 | 26.9° | 64.1° |
C16 | N1 | C7 | C8 | 62.1° | 60.0° |
C16 | N1 | C7 | C6 | 171.9° | 180.0° |
C16 | N1 | C7 | H4 | 54.3° | 60.0° |
N1 | C16 | C15 | H11 | 93.4° | 176.0° |
N1 | C16 | C15 | H12 | 147.2° | 55.7° |
N1 | C16 | C11 | H20 | 100.2° | 93.7° |
N1 | C16 | C11 | H21 | 138.0° | 144.0° |
C16 | N1 | C9 | H31 | 170.2° | 163.5° |
C12 | C9 | N1 | H31 | 122.5° | 123.9° |
C9 | C12 | C13 | C15 | 44.2° | 54.0° |
C9 | C12 | C13 | H22 | 120.5° | 119.8° |
C9 | C12 | C13 | H23 | 120.5° | 120.0° |
C12 | C9 | N1 | C7 | 172.2° | 168.4° |
C9 | C12 | C13 | C14 | 170.3° | 66.1° |
C12 | C9 | C10 | H8 | 40.8° | 30.3° |
C12 | C9 | C10 | H9 | 163.1° | 152.5° |
C9 | C12 | C13 | H10 | 72.5° | 174.1° |
C9 | C12 | H22 | H23 | 118.5° | 120.3° |
N1 | C9 | C12 | C13 | 7.4° | 64.1° |
C9 | N1 | C7 | C8 | 175.2° | 174.5° |
C9 | N1 | C7 | C6 | 58.8° | 65.5° |
C9 | N1 | C7 | H4 | 58.7° | 54.5° |
N1 | C9 | C10 | H8 | 159.6° | 144.0° |
N1 | C9 | C10 | H9 | 78.1° | 93.8° |
N1 | C9 | C12 | H22 | 127.9° | 55.7° |
N1 | C9 | C12 | H23 | 113.1° | 176.0° |
C9 | N1 | C16 | H24 | 161.4° | 163.3° |
C15 | C13 | C14 | O1 | 0.8° | 29.8° |
C15 | C13 | C12 | C14 | 126.1° | 120.1° |
C15 | C13 | C12 | H10 | 116.7° | 120.1° |
C15 | C13 | C14 | H10 | 117.1° | 119.9° |
C15 | C13 | C14 | O2 | 179.8° | 150.3° |
C13 | C15 | H11 | H12 | 118.9° | 120.2° |
C15 | C13 | C12 | H22 | 76.3° | 65.8° |
C15 | C13 | C12 | H23 | 164.7° | 174.0° |
C13 | C15 | C16 | H24 | 147.2° | 171.9° |
C25 | C24 | C23 | H15 | 120.3° | 120.0° |
C25 | C24 | C23 | H16 | 120.3° | 120.0° |
C25 | C24 | C23 | C22 | 55.8° | 60.0° |
C25 | C24 | H15 | H16 | 119.1° | 120.1° |
C25 | C24 | C23 | H26 | 176.2° | 60.0° |
C25 | C24 | C23 | H27 | 64.6° | 180.0° |
C24 | C25 | C27 | H29 | 177.5° | 60.0° |
C24 | C25 | C27 | H30 | 63.1° | 180.0° |
O1 | C14 | C13 | C12 | 125.1° | 150.1° |
O1 | C14 | C13 | O2 | 179.1° | 179.9° |
O1 | C14 | C13 | H10 | 117.8° | 90.2° |
O1 | C14 | O2 | H32 | 0.0° | 0.0° |
C12 | C13 | C14 | H10 | 117.1° | 119.8° |
C12 | C13 | C14 | O2 | 54.0° | 30.0° |
C12 | C13 | C15 | H11 | 154.1° | 173.8° |
C12 | C13 | C15 | H12 | 86.6° | 65.9° |
C13 | C12 | H22 | H23 | 118.5° | 120.3° |
C13 | C12 | C9 | H31 | 130.3° | 171.6° |
N1 | C7 | C8 | C6 | 126.1° | 120.0° |
N1 | C7 | C8 | H4 | 116.8° | 120.0° |
N1 | C7 | C6 | H4 | 117.8° | 120.0° |
N1 | C7 | C6 | C17 | 100.0° | 140.0° |
N1 | C7 | C6 | C5 | 81.2° | 40.0° |
N1 | C7 | C8 | H5 | 180.0° | 180.0° |
N1 | C7 | C8 | H6 | 60.0° | 60.0° |
N1 | C7 | C8 | H7 | 60.0° | 60.0° |
C7 | N1 | C16 | H24 | 40.1° | 44.2° |
C7 | N1 | C9 | H31 | 49.6° | 44.4° |
C28 | C22 | O3 | C21 | 170.1° | 93.7° |
C28 | C22 | O3 | C23 | 121.8° | 120.0° |
C28 | C22 | O3 | H14 | 118.3° | 120.1° |
C28 | C22 | C23 | C24 | 53.1° | 60.0° |
C28 | C22 | C23 | H14 | 119.9° | 120.0° |
C22 | C28 | H17 | H18 | 118.9° | 120.0° |
C28 | C22 | C23 | H26 | 173.5° | 60.0° |
C28 | C22 | C23 | H27 | 67.3° | 180.0° |
C22 | C28 | C27 | H29 | 176.8° | 60.0° |
C22 | C28 | C27 | H30 | 63.8° | 180.0° |
C8 | C7 | C6 | H4 | 117.0° | 120.0° |
C8 | C7 | C6 | C17 | 134.9° | 100.0° |
C8 | C7 | C6 | C5 | 44.0° | 80.0° |
C7 | C8 | H5 | H6 | 120.0° | 120.0° |
C7 | C8 | H5 | H7 | 120.0° | 120.0° |
C7 | C8 | H6 | H7 | 120.0° | 120.0° |
C7 | C6 | C17 | C5 | 178.9° | 180.0° |
C7 | C6 | C17 | C18 | 179.8° | 180.0° |
C7 | C6 | C5 | C4 | 179.9° | 180.0° |
C7 | C6 | C5 | H3 | 0.0° | 0.1° |
C6 | C7 | C8 | H5 | 53.9° | 60.0° |
C6 | C7 | C8 | H6 | 173.9° | 180.0° |
C6 | C7 | C8 | H7 | 66.1° | 60.0° |
C7 | C6 | C17 | H13 | 0.2° | 0.0° |
C6 | C17 | C18 | H13 | 180.0° | 180.0° |
C6 | C17 | C18 | C19 | 179.6° | 180.0° |
C6 | C17 | C18 | C3 | 1.0° | 0.2° |
C17 | C6 | C5 | C4 | 1.1° | 0.0° |
C17 | C6 | C5 | H3 | 178.9° | 180.0° |
C17 | C6 | C7 | H4 | 17.9° | 20.0° |
C17 | C18 | C19 | C3 | 179.4° | 179.8° |
C17 | C18 | C19 | C21 | 179.9° | 180.0° |
C18 | C17 | C6 | C5 | 1.3° | 0.0° |
C17 | C18 | C3 | C4 | 0.4° | 0.5° |
C17 | C18 | C3 | C2 | 179.7° | 179.9° |
C14 | C13 | C15 | H11 | 79.7° | 53.8° |
C14 | C13 | C15 | H12 | 39.6° | 174.1° |
C14 | C13 | C12 | H22 | 49.9° | 174.2° |
C14 | C13 | C12 | H23 | 69.1° | 53.9° |
C13 | C14 | O2 | H32 | 179.0° | 180.0° |
O2 | C14 | C13 | H10 | 63.1° | 89.8° |
C18 | C19 | C21 | O3 | 179.8° | 179.8° |
C18 | C19 | C21 | C1 | 1.0° | 0.0° |
C19 | C18 | C3 | C4 | 179.8° | 179.8° |
C19 | C18 | C3 | C2 | 0.2° | 0.3° |
C19 | C18 | C17 | H13 | 0.4° | 0.0° |
C19 | C21 | O3 | C1 | 179.2° | 179.8° |
C19 | C21 | O3 | C22 | 169.5° | 173.5° |
C21 | C19 | C18 | C3 | 0.6° | 0.3° |
C19 | C21 | C1 | C2 | 1.0° | 0.2° |
C19 | C21 | C1 | H19 | 179.0° | 180.0° |
C21 | O3 | C22 | C23 | 68.1° | 146.3° |
O3 | C21 | C1 | C2 | 179.8° | 180.0° |
C21 | O3 | C22 | H14 | 51.8° | 26.4° |
O3 | C21 | C1 | H19 | 0.2° | 0.2° |
O3 | C22 | C23 | C24 | 66.9° | 60.0° |
C22 | O3 | C21 | C1 | 11.3° | 6.3° |
O3 | C22 | C23 | H14 | 120.1° | 120.0° |
O3 | C22 | C28 | H17 | 171.4° | 60.0° |
O3 | C22 | C28 | H18 | 52.1° | 180.0° |
O3 | C22 | C23 | H26 | 53.5° | 180.0° |
O3 | C22 | C23 | H27 | 172.6° | 60.0° |
C24 | C23 | C22 | H26 | 120.4° | 120.1° |
C24 | C23 | C22 | H27 | 120.4° | 120.0° |
C24 | C23 | C22 | H14 | 172.9° | 180.0° |
C23 | C24 | H15 | H16 | 119.1° | 120.0° |
C24 | C23 | H26 | H27 | 118.7° | 120.0° |
C23 | C24 | C25 | H28 | 60.2° | 60.0° |
C6 | C5 | C4 | H3 | 180.0° | 180.0° |
C6 | C5 | C4 | C3 | 0.5° | 0.3° |
C6 | C5 | C4 | H2 | 179.5° | 180.0° |
C5 | C6 | C7 | H4 | 161.0° | 160.0° |
C5 | C6 | C17 | H13 | 178.7° | 180.0° |
C18 | C3 | C4 | C5 | 0.1° | 0.5° |
C18 | C3 | C4 | C2 | 179.9° | 179.5° |
C18 | C3 | C2 | C1 | 0.2° | 0.1° |
C18 | C3 | C4 | H2 | 179.9° | 179.8° |
C3 | C18 | C17 | H13 | 179.0° | 179.8° |
C18 | C3 | C2 | H25 | 179.8° | 179.8° |
C21 | C1 | C2 | C3 | 0.6° | 0.2° |
C21 | C1 | C2 | H19 | 180.0° | 179.8° |
C21 | C1 | C2 | H25 | 179.4° | 180.0° |
C22 | C23 | C24 | H15 | 64.5° | 180.0° |
C22 | C23 | C24 | H16 | 176.1° | 60.0° |
C23 | C22 | C28 | H17 | 67.0° | 180.0° |
C23 | C22 | C28 | H18 | 173.7° | 60.0° |
C22 | C23 | H26 | H27 | 118.8° | 120.0° |
C5 | C4 | C3 | H2 | 180.0° | 179.8° |
C5 | C4 | C3 | C2 | 179.9° | 179.9° |
C4 | C3 | C2 | C1 | 179.8° | 179.5° |
C3 | C4 | C5 | H3 | 179.5° | 179.8° |
C4 | C3 | C2 | H25 | 0.1° | 0.3° |
C3 | C2 | C1 | H25 | 180.0° | 179.8° |
C2 | C3 | C4 | H2 | 0.1° | 0.3° |
C3 | C2 | C1 | H19 | 179.4° | 179.9° |
H2 | C4 | C5 | H3 | 0.5° | 0.0° |
H4 | C7 | C8 | H5 | 63.2° | 60.0° |
H4 | C7 | C8 | H6 | 56.8° | 60.0° |
H4 | C7 | C8 | H7 | 176.8° | 180.0° |
H5 | C8 | H6 | H7 | 120.0° | 120.0° |
H8 | C10 | C11 | H20 | 109.0° | 122.3° |
H8 | C10 | C11 | H21 | 12.9° | 0.1° |
H8 | C10 | C9 | H31 | 82.9° | 93.7° |
H9 | C10 | C11 | H20 | 13.3° | 0.1° |
H9 | C10 | C11 | H21 | 135.2° | 122.3° |
H9 | C10 | C9 | H31 | 39.4° | 28.5° |
H10 | C13 | C15 | H11 | 37.4° | 66.1° |
H10 | C13 | C15 | H12 | 156.7° | 54.2° |
H10 | C13 | C12 | H22 | 167.0° | 54.3° |
H10 | C13 | C12 | H23 | 48.0° | 65.9° |
H11 | C15 | C16 | H24 | 26.9° | 52.1° |
H12 | C15 | C16 | H24 | 92.5° | 68.2° |
H14 | C22 | C28 | H17 | 52.8° | 60.1° |
H14 | C22 | C28 | H18 | 66.4° | 59.9° |
H14 | C22 | C23 | H26 | 66.6° | 60.0° |
H14 | C22 | C23 | H27 | 52.5° | 60.0° |
H15 | C24 | C23 | H26 | 55.9° | 60.0° |
H15 | C24 | C23 | H27 | 175.1° | 60.0° |
H15 | C24 | C25 | H28 | 179.5° | 60.0° |
H16 | C24 | C23 | H26 | 63.5° | 180.0° |
H16 | C24 | C23 | H27 | 55.7° | 60.0° |
H16 | C24 | C25 | H28 | 60.1° | NaN° |
H17 | C28 | C27 | H29 | 56.4° | 60.0° |
H17 | C28 | C27 | H30 | 175.8° | 60.0° |
H18 | C28 | C27 | H29 | 62.8° | 180.0° |
H18 | C28 | C27 | H30 | 56.6° | 60.0° |
H19 | C1 | C2 | H25 | 0.6° | 0.2° |
H20 | C11 | C16 | H24 | 17.4° | 28.0° |
H21 | C11 | C16 | H24 | 104.5° | 94.3° |
H22 | C12 | C9 | H31 | 109.2° | 68.6° |
H23 | C12 | C9 | H31 | 9.8° | 51.7° |
H28 | C25 | C27 | H29 | 60.5° | 180.0° |
H28 | C25 | C27 | H30 | 179.9° | 60.0° |