FWA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N4 | C15 | sing | 1.48Å | 1.52Å | |
N4 | C14 | sing | 1.48Å | 1.56Å | |
C24 | C23 | sing | 1.51Å | 1.51Å | |
C15 | C13 | sing | 1.53Å | 1.58Å | |
F | C22 | sing | 1.35Å | 1.34Å | |
C14 | C13 | sing | 1.53Å | 1.54Å | |
C23 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
C23 | C25 | sing | 1.38Å | 1.37Å | Aromatic |
C22 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
C13 | C16 | sing | 1.53Å | 1.57Å | |
C13 | C12 | sing | 1.53Å | 1.53Å | |
C25 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
C16 | N3 | sing | 1.48Å | 1.50Å | |
C20 | C21 | sing | 1.51Å | 1.52Å | |
C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
C12 | N3 | sing | 1.48Å | 1.49Å | |
C18 | C19 | sing | 1.38Å | 1.44Å | Aromatic |
C18 | C17 | sing | 1.51Å | 1.50Å | |
N3 | C11 | sing | 1.38Å | 1.43Å | |
C17 | N5 | sing | 1.47Å | 1.45Å | |
C11 | N5 | sing | 1.37Å | 1.43Å | Aromatic |
C11 | N2 | doub | 1.31Å | 1.35Å | Aromatic |
N5 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
N2 | C10 | sing | 1.36Å | 1.42Å | Aromatic |
C9 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
C9 | C8 | sing | 1.39Å | 1.42Å | Aromatic |
C10 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
C8 | C7 | doub | 1.38Å | 1.33Å | Aromatic |
C3 | C4 | sing | 1.53Å | 1.55Å | |
C3 | N1 | sing | 1.47Å | 1.44Å | |
C5 | N1 | sing | 1.40Å | 1.39Å | |
C5 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
C4 | N | sing | 1.47Å | 1.48Å | |
C7 | C6 | sing | 1.39Å | 1.36Å | Aromatic |
C7 | CL | sing | 1.74Å | 1.79Å | |
N1 | C2 | sing | 1.47Å | 1.51Å | |
N | C | sing | 1.47Å | 1.50Å | |
N | C1 | sing | 1.47Å | 1.50Å | |
C2 | C1 | sing | 1.53Å | 1.58Å | |
C4 | H1 | sing | 1.09Å | 1.10Å | |
C4 | H2 | sing | 1.09Å | 1.10Å | |
C6 | H3 | sing | 1.08Å | 1.08Å | |
C8 | H4 | sing | 1.08Å | 1.08Å | |
C15 | H5 | sing | 1.09Å | 1.10Å | |
C15 | H6 | sing | 1.09Å | 1.10Å | |
C17 | H7 | sing | 1.09Å | 1.10Å | |
C17 | H8 | sing | 1.09Å | 1.10Å | |
C21 | H9 | sing | 1.09Å | 1.10Å | |
C21 | H10 | sing | 1.09Å | 1.10Å | |
C21 | H11 | sing | 1.09Å | 1.10Å | |
C24 | H12 | sing | 1.09Å | 1.10Å | |
C24 | H13 | sing | 1.09Å | 1.10Å | |
C24 | H14 | sing | 1.09Å | 1.10Å | |
C | H16 | sing | 1.09Å | 1.10Å | |
C | H17 | sing | 1.09Å | 1.10Å | |
C | H18 | sing | 1.09Å | 1.10Å | |
C1 | H19 | sing | 1.09Å | 1.10Å | |
C1 | H20 | sing | 1.09Å | 1.10Å | |
C12 | H21 | sing | 1.09Å | 1.10Å | |
C12 | H22 | sing | 1.09Å | 1.10Å | |
C14 | H23 | sing | 1.09Å | 1.10Å | |
C14 | H24 | sing | 1.09Å | 1.10Å | |
C16 | H25 | sing | 1.09Å | 1.10Å | |
C16 | H26 | sing | 1.09Å | 1.10Å | |
C19 | H27 | sing | 1.08Å | 1.08Å | |
C2 | H28 | sing | 1.09Å | 1.10Å | |
C2 | H29 | sing | 1.09Å | 1.10Å | |
C25 | H30 | sing | 1.08Å | 1.08Å | |
C3 | H31 | sing | 1.09Å | 1.10Å | |
C3 | H32 | sing | 1.09Å | 1.10Å | |
N4 | H33 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C15 | N4 | C14 | 92.2° | 91.0° |
N4 | C15 | C13 | 88.0° | 85.8° |
N4 | C15 | H5 | 114.6° | 113.8° |
N4 | C15 | H6 | 114.5° | 114.0° |
C15 | N4 | H33 | 113.6° | 111.0° |
N4 | C14 | C13 | 88.2° | 85.8° |
N4 | C14 | H23 | 114.5° | 113.8° |
N4 | C14 | H24 | 114.5° | 113.9° |
C14 | N4 | H33 | 113.6° | 111.0° |
C24 | C23 | C22 | 117.9° | 120.0° |
C24 | C23 | C25 | 121.0° | 120.0° |
C23 | C24 | H12 | 109.5° | 109.5° |
C23 | C24 | H13 | 109.5° | 109.4° |
C23 | C24 | H14 | 109.4° | 109.5° |
C15 | C13 | C14 | 91.0° | 87.5° |
C15 | C13 | C16 | 119.1° | 121.5° |
C15 | C13 | C12 | 119.2° | 121.4° |
C13 | C15 | H5 | 114.6° | 113.8° |
C13 | C15 | H6 | 114.6° | 113.9° |
F | C22 | C23 | 117.2° | 120.0° |
F | C22 | C20 | 121.6° | 120.0° |
C14 | C13 | C16 | 117.6° | 121.4° |
C14 | C13 | C12 | 121.3° | 121.5° |
C13 | C14 | H23 | 114.5° | 113.8° |
C13 | C14 | H24 | 114.5° | 113.8° |
C22 | C23 | C25 | 121.1° | 120.0° |
C23 | C22 | C20 | 121.3° | 119.9° |
C23 | C25 | C18 | 119.1° | 120.0° |
C23 | C25 | H30 | 120.5° | 120.0° |
C22 | C20 | C21 | 120.2° | 120.0° |
C22 | C20 | C19 | 119.6° | 120.0° |
C16 | C13 | C12 | 91.5° | 87.5° |
C13 | C16 | N3 | 84.3° | 85.8° |
C13 | C16 | H25 | 115.3° | 113.8° |
C13 | C16 | H26 | 115.3° | 113.8° |
C13 | C12 | N3 | 86.1° | 85.8° |
C13 | C12 | H21 | 115.0° | 113.8° |
C13 | C12 | H22 | 115.0° | 113.8° |
C25 | C18 | C19 | 120.2° | 120.1° |
C25 | C18 | C17 | 117.2° | 119.9° |
C18 | C25 | H30 | 120.5° | 120.0° |
C16 | N3 | C12 | 95.7° | 91.1° |
C16 | N3 | C11 | 127.5° | 111.0° |
N3 | C16 | H25 | 115.3° | 113.8° |
N3 | C16 | H26 | 115.3° | 113.8° |
C21 | C20 | C19 | 120.1° | 120.0° |
C20 | C21 | H9 | 109.5° | 109.5° |
C20 | C21 | H10 | 109.5° | 109.5° |
C20 | C21 | H11 | 109.5° | 109.5° |
C20 | C19 | C18 | 118.7° | 120.0° |
C20 | C19 | H27 | 120.7° | 120.0° |
C12 | N3 | C11 | 119.7° | 111.0° |
N3 | C12 | H21 | 115.0° | 113.9° |
N3 | C12 | H22 | 114.9° | 113.8° |
C19 | C18 | C17 | 122.4° | 120.0° |
C18 | C19 | H27 | 120.6° | 120.0° |
C18 | C17 | N5 | 112.3° | 109.4° |
C18 | C17 | H7 | 108.8° | 109.4° |
C18 | C17 | H8 | 108.8° | 109.4° |
N3 | C11 | N5 | 121.9° | 125.1° |
N3 | C11 | N2 | 124.2° | 125.0° |
C17 | N5 | C11 | 131.5° | 126.3° |
C17 | N5 | C9 | 123.3° | 126.4° |
N5 | C17 | H7 | 108.8° | 109.4° |
N5 | C17 | H8 | 108.8° | 109.5° |
N5 | C11 | N2 | 113.6° | 109.8° |
C11 | N5 | C9 | 105.1° | 107.3° |
C11 | N2 | C10 | 102.6° | 109.6° |
N5 | C9 | C10 | 106.4° | 106.2° |
N5 | C9 | C8 | 130.7° | 133.8° |
N2 | C10 | C9 | 112.4° | 107.1° |
N2 | C10 | C5 | 125.5° | 133.4° |
C10 | C9 | C8 | 122.9° | 120.0° |
C9 | C10 | C5 | 122.1° | 119.5° |
C9 | C8 | C7 | 111.3° | 120.0° |
C9 | C8 | H4 | 124.4° | 120.0° |
C10 | C5 | N1 | 122.7° | 120.1° |
C10 | C5 | C6 | 115.0° | 119.7° |
C8 | C7 | C6 | 130.0° | 120.4° |
C8 | C7 | CL | 113.5° | 119.8° |
C7 | C8 | H4 | 124.3° | 120.0° |
C4 | C3 | N1 | 110.9° | 109.3° |
C3 | C4 | N | 108.6° | 109.3° |
C3 | C4 | H1 | 109.7° | 109.5° |
C3 | C4 | H2 | 109.7° | 109.5° |
C4 | C3 | H31 | 109.1° | 109.5° |
C4 | C3 | H32 | 109.1° | 109.4° |
C3 | N1 | C5 | 116.3° | 111.0° |
C3 | N1 | C2 | 112.8° | 110.9° |
N1 | C3 | H31 | 109.1° | 109.5° |
N1 | C3 | H32 | 109.1° | 109.6° |
N1 | C5 | C6 | 122.2° | 120.1° |
C5 | N1 | C2 | 115.5° | 111.0° |
C5 | C6 | C7 | 118.6° | 120.4° |
C5 | C6 | H3 | 120.7° | 119.9° |
C4 | N | C | 109.7° | 111.0° |
C4 | N | C1 | 111.5° | 110.9° |
N | C4 | H1 | 109.7° | 109.5° |
N | C4 | H2 | 109.7° | 109.5° |
C6 | C7 | CL | 116.5° | 119.8° |
C7 | C6 | H3 | 120.7° | 119.7° |
N1 | C2 | C1 | 107.9° | 109.3° |
N1 | C2 | H28 | 109.9° | 109.5° |
N1 | C2 | H29 | 109.8° | 109.5° |
C | N | C1 | 109.6° | 111.0° |
N | C | H16 | 109.5° | 109.5° |
N | C | H17 | 109.5° | 109.4° |
N | C | H18 | 109.5° | 109.5° |
N | C1 | C2 | 109.6° | 109.4° |
N | C1 | H19 | 109.4° | 109.5° |
N | C1 | H20 | 109.4° | 109.5° |
C2 | C1 | H19 | 109.4° | 109.5° |
C2 | C1 | H20 | 109.4° | 109.5° |
C1 | C2 | H28 | 109.9° | 109.5° |
C1 | C2 | H29 | 109.9° | 109.5° |
H1 | C4 | H2 | 109.4° | 109.5° |
H5 | C15 | H6 | 109.4° | 112.9° |
H7 | C17 | H8 | 109.5° | 109.6° |
H9 | C21 | H10 | 109.5° | 109.4° |
H9 | C21 | H11 | 109.5° | 109.5° |
H10 | C21 | H11 | 109.4° | 109.4° |
H12 | C24 | H13 | 109.5° | 109.5° |
H12 | C24 | H14 | 109.5° | 109.5° |
H13 | C24 | H14 | 109.5° | 109.5° |
H16 | C | H17 | 109.5° | 109.5° |
H16 | C | H18 | 109.5° | 109.5° |
H17 | C | H18 | 109.5° | 109.4° |
H19 | C1 | H20 | 109.5° | 109.5° |
H21 | C12 | H22 | 109.5° | 113.1° |
H23 | C14 | H24 | 109.5° | 113.0° |
H25 | C16 | H26 | 109.5° | 113.1° |
H28 | C2 | H29 | 109.5° | 109.6° |
H31 | C3 | H32 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C15 | N4 | C14 | H33 | 117.0° | 113.0° |
N4 | C15 | C13 | H5 | 116.2° | 114.2° |
N4 | C15 | C13 | H6 | 116.2° | 114.4° |
C15 | N4 | C14 | C13 | 6.3° | 23.8° |
N4 | C15 | C13 | C16 | 116.4° | 102.7° |
N4 | C15 | C13 | C12 | 133.4° | 149.0° |
N4 | C15 | H5 | H6 | 130.2° | 132.0° |
C15 | N4 | C14 | H23 | 122.5° | 90.4° |
C15 | N4 | C14 | H24 | 109.9° | 138.1° |
N4 | C14 | C13 | H23 | 116.2° | 114.2° |
N4 | C14 | C13 | H24 | 116.2° | 114.4° |
N4 | C14 | C13 | C16 | 117.9° | 102.7° |
N4 | C14 | C13 | C12 | 131.6° | 148.9° |
C14 | N4 | C15 | H5 | 110.0° | 138.1° |
C14 | N4 | C15 | H6 | 122.3° | 90.4° |
N4 | C14 | H23 | H24 | 130.1° | 132.0° |
C24 | C23 | C22 | F | 3.0° | 0.1° |
C24 | C23 | C22 | C25 | 178.3° | 180.0° |
C24 | C23 | C22 | C20 | 176.1° | 180.0° |
C24 | C23 | C25 | C18 | 177.9° | 179.7° |
C23 | C24 | H12 | H13 | 120.0° | 120.0° |
C23 | C24 | H12 | H14 | 120.0° | 120.0° |
C23 | C24 | H13 | H14 | 120.0° | 120.0° |
C24 | C23 | C25 | H30 | 2.1° | 0.0° |
C15 | C13 | C14 | C16 | 124.0° | 125.9° |
C15 | C13 | C14 | C12 | 125.5° | 125.8° |
C15 | C13 | C16 | C12 | 124.9° | 125.8° |
C15 | C13 | C16 | N3 | 113.2° | 102.8° |
C15 | C13 | C12 | N3 | 113.1° | 102.8° |
C13 | C15 | H5 | H6 | 130.2° | 131.8° |
C15 | C13 | C12 | H21 | 131.1° | 11.5° |
C15 | C13 | C12 | H22 | 2.6° | 143.0° |
C15 | C13 | C14 | H23 | 122.3° | 91.1° |
C15 | C13 | C14 | H24 | 110.1° | 137.5° |
C15 | C13 | C16 | H25 | 2.1° | 143.0° |
C15 | C13 | C16 | H26 | 131.4° | 11.4° |
C13 | C15 | N4 | H33 | 110.9° | 89.2° |
F | C22 | C23 | C20 | 179.1° | 179.9° |
F | C22 | C23 | C25 | 178.7° | 179.9° |
F | C22 | C20 | C21 | 0.2° | 0.1° |
F | C22 | C20 | C19 | 178.2° | 179.8° |
C14 | C13 | C16 | C12 | 126.8° | 125.8° |
C14 | C13 | C16 | N3 | 138.5° | 148.9° |
C14 | C13 | C12 | N3 | 135.6° | 148.9° |
C14 | C13 | C15 | H5 | 109.9° | 137.3° |
C14 | C13 | C15 | H6 | 122.4° | 91.3° |
C14 | C13 | C12 | H21 | 19.9° | 96.8° |
C14 | C13 | C12 | H22 | 108.6° | 34.7° |
C13 | C14 | H23 | H24 | 130.1° | 131.8° |
C14 | C13 | C16 | H25 | 106.1° | 34.7° |
C14 | C13 | C16 | H26 | 23.1° | 96.9° |
C13 | C14 | N4 | H33 | 110.7° | 89.2° |
C22 | C23 | C25 | C18 | 0.4° | 0.3° |
C23 | C22 | C20 | C21 | 178.9° | 180.0° |
C23 | C22 | C20 | C19 | 2.7° | 0.3° |
C22 | C23 | C24 | H12 | 90.8° | 90.0° |
C22 | C23 | C24 | H13 | 149.2° | 150.0° |
C22 | C23 | C24 | H14 | 29.2° | 30.0° |
C22 | C23 | C25 | H30 | 179.6° | 180.0° |
C25 | C23 | C22 | C20 | 2.2° | 0.0° |
C23 | C25 | C18 | H30 | 180.0° | 179.7° |
C23 | C25 | C18 | C19 | 0.8° | 0.3° |
C23 | C25 | C18 | C17 | 176.1° | 179.7° |
C25 | C23 | C24 | H12 | 90.9° | 90.0° |
C25 | C23 | C24 | H13 | 29.1° | 30.0° |
C25 | C23 | C24 | H14 | 149.1° | 150.0° |
C22 | C20 | C21 | C19 | 178.4° | 179.7° |
C22 | C20 | C19 | C18 | 1.5° | 0.3° |
C22 | C20 | C21 | H9 | 90.8° | 89.7° |
C22 | C20 | C21 | H10 | 149.2° | 30.3° |
C22 | C20 | C21 | H11 | 29.2° | 150.3° |
C22 | C20 | C19 | H27 | 178.5° | 179.7° |
C13 | C16 | N3 | H25 | 115.4° | 114.2° |
C13 | C16 | N3 | H26 | 115.4° | 114.2° |
C16 | C13 | C12 | N3 | 11.7° | 23.1° |
C13 | C16 | N3 | C11 | 146.8° | 136.9° |
C16 | C13 | C15 | H5 | 127.4° | 11.5° |
C16 | C13 | C15 | H6 | 0.3° | 142.9° |
C16 | C13 | C12 | H21 | 104.0° | 137.4° |
C16 | C13 | C12 | H22 | 127.5° | 91.1° |
C16 | C13 | C14 | H23 | 1.7° | 143.0° |
C16 | C13 | C14 | H24 | 126.0° | 11.6° |
C13 | C16 | H25 | H26 | 132.1° | 131.9° |
C13 | C12 | N3 | H21 | 115.8° | 114.2° |
C13 | C12 | N3 | H22 | 115.8° | 114.2° |
C13 | C12 | N3 | C11 | 151.9° | 136.9° |
C12 | C13 | C15 | H5 | 17.2° | 96.8° |
C12 | C13 | C15 | H6 | 110.4° | 34.6° |
C13 | C12 | H21 | H22 | 131.2° | 131.9° |
C12 | C13 | C14 | H23 | 112.2° | 34.7° |
C12 | C13 | C14 | H24 | 15.4° | 96.7° |
C12 | C13 | C16 | H25 | 127.1° | 91.1° |
C12 | C13 | C16 | H26 | 103.7° | 137.3° |
C25 | C18 | C19 | C20 | 0.3° | 0.0° |
C25 | C18 | C19 | C17 | 175.0° | 180.0° |
C25 | C18 | C17 | N5 | 162.4° | 85.1° |
C25 | C18 | C17 | H7 | 77.2° | 34.8° |
C25 | C18 | C17 | H8 | 42.0° | 154.9° |
C25 | C18 | C19 | H27 | 179.7° | 180.0° |
C16 | N3 | C12 | C11 | 139.5° | 113.1° |
C16 | N3 | C11 | N5 | 43.0° | 88.6° |
C16 | N3 | C11 | N2 | 143.6° | 91.3° |
C16 | N3 | C12 | H21 | 103.4° | 138.0° |
C16 | N3 | C12 | H22 | 128.1° | 90.4° |
N3 | C16 | H25 | H26 | 132.1° | 131.9° |
C21 | C20 | C19 | C18 | 179.9° | 180.0° |
C20 | C21 | H9 | H10 | 120.0° | 120.0° |
C20 | C21 | H9 | H11 | 120.0° | 120.1° |
C20 | C21 | H10 | H11 | 120.0° | 120.1° |
C21 | C20 | C19 | H27 | 0.1° | 0.0° |
C20 | C19 | C18 | H27 | 180.0° | 179.9° |
C20 | C19 | C18 | C17 | 175.3° | 180.0° |
C19 | C20 | C21 | H9 | 90.8° | 90.0° |
C19 | C20 | C21 | H10 | 29.2° | 150.0° |
C19 | C20 | C21 | H11 | 149.2° | 30.0° |
C12 | N3 | C11 | N5 | 168.5° | 171.6° |
C12 | N3 | C11 | N2 | 18.1° | 8.4° |
N3 | C12 | H21 | H22 | 131.1° | 132.0° |
C12 | N3 | C16 | H25 | 127.4° | 90.4° |
C12 | N3 | C16 | H26 | 103.3° | 138.0° |
C19 | C18 | C17 | N5 | 22.5° | 94.9° |
C19 | C18 | C17 | H7 | 98.0° | 145.2° |
C19 | C18 | C17 | H8 | 142.9° | 25.1° |
C19 | C18 | C25 | H30 | 179.2° | 180.0° |
C18 | C17 | N5 | H7 | 120.4° | 119.9° |
C18 | C17 | N5 | H8 | 120.4° | 120.0° |
C18 | C17 | N5 | C11 | 83.9° | 85.1° |
C18 | C17 | N5 | C9 | 100.7° | 94.9° |
C18 | C17 | H7 | H8 | 118.7° | 120.0° |
C17 | C18 | C19 | H27 | 4.7° | 0.0° |
C17 | C18 | C25 | H30 | 3.9° | 0.0° |
N3 | C11 | N5 | C17 | 11.7° | 0.0° |
N3 | C11 | N5 | N2 | 174.1° | 179.9° |
N3 | C11 | N5 | C9 | 172.2° | 180.0° |
N3 | C11 | N2 | C10 | 172.7° | 179.8° |
C11 | N3 | C12 | H21 | 36.1° | 108.9° |
C11 | N3 | C12 | H22 | 92.3° | 22.7° |
C11 | N3 | C16 | H25 | 97.9° | 22.7° |
C11 | N3 | C16 | H26 | 31.4° | 108.9° |
C17 | N5 | C11 | C9 | 176.1° | 180.0° |
C17 | N5 | C11 | N2 | 174.2° | 180.0° |
C17 | N5 | C9 | C10 | 174.8° | 179.9° |
C17 | N5 | C9 | C8 | 4.5° | 0.5° |
N5 | C17 | H7 | H8 | 118.7° | 120.1° |
N5 | C11 | N2 | C10 | 1.2° | 0.2° |
C11 | N5 | C9 | C10 | 1.7° | 0.1° |
C11 | N5 | C9 | C8 | 179.0° | 179.4° |
C11 | N5 | C17 | H7 | 155.7° | 155.0° |
C11 | N5 | C17 | H8 | 36.5° | 34.9° |
N2 | C11 | N5 | C9 | 1.8° | 0.1° |
C11 | N2 | C10 | C9 | 0.0° | 0.3° |
C11 | N2 | C10 | C5 | 178.8° | 180.0° |
N5 | C9 | C10 | N2 | 1.1° | 0.2° |
N5 | C9 | C10 | C8 | 179.4° | 179.4° |
N5 | C9 | C10 | C5 | 177.8° | 180.0° |
N5 | C9 | C8 | C7 | 177.5° | 179.5° |
N5 | C9 | C8 | H4 | 2.5° | 0.5° |
C9 | N5 | C17 | H7 | 19.8° | 25.1° |
C9 | N5 | C17 | H8 | 138.9° | 145.2° |
N2 | C10 | C9 | C5 | 178.8° | 179.8° |
N2 | C10 | C9 | C8 | 179.5° | 179.7° |
N2 | C10 | C5 | N1 | 1.0° | 0.0° |
N2 | C10 | C5 | C6 | 179.4° | 179.7° |
C10 | C9 | C8 | C7 | 1.7° | 0.2° |
C9 | C10 | C5 | N1 | 177.6° | 179.7° |
C9 | C10 | C5 | C6 | 0.7° | 0.6° |
C10 | C9 | C8 | H4 | 178.3° | 179.7° |
C8 | C9 | C10 | C5 | 1.6° | 0.6° |
C9 | C8 | C7 | H4 | 180.0° | 180.0° |
C9 | C8 | C7 | C6 | 1.2° | 0.0° |
C9 | C8 | C7 | CL | 176.8° | 180.0° |
C10 | C5 | N1 | C3 | 58.6° | 115.9° |
C10 | C5 | N1 | C6 | 178.2° | 179.7° |
C10 | C5 | C6 | C7 | 0.1° | 0.3° |
C10 | C5 | N1 | C2 | 165.8° | 120.3° |
C10 | C5 | C6 | H3 | 179.9° | 179.8° |
C8 | C7 | C6 | C5 | 0.4° | 0.0° |
C8 | C7 | C6 | CL | 178.0° | 179.9° |
C8 | C7 | C6 | H3 | 179.6° | 179.9° |
C4 | C3 | N1 | H31 | 120.2° | 119.9° |
C4 | C3 | N1 | H32 | 120.2° | 119.9° |
C4 | C3 | N1 | C5 | 163.7° | 176.8° |
C3 | C4 | N | H1 | 119.9° | 120.0° |
C3 | C4 | N | H2 | 119.9° | 119.9° |
C4 | C3 | N1 | C2 | 59.6° | 59.3° |
C3 | C4 | N | C | 179.5° | 176.8° |
C3 | C4 | N | C1 | 58.8° | 59.3° |
C3 | C4 | H1 | H2 | 120.4° | 120.1° |
C4 | C3 | H31 | H32 | 119.4° | 120.0° |
C3 | N1 | C5 | C2 | 135.6° | 123.8° |
C3 | N1 | C5 | C6 | 123.2° | 63.8° |
N1 | C3 | C4 | N | 58.4° | 58.4° |
C3 | N1 | C2 | C1 | 57.5° | 59.3° |
N1 | C3 | C4 | H1 | 61.5° | 178.4° |
N1 | C3 | C4 | H2 | 178.3° | 61.6° |
C3 | N1 | C2 | H28 | 62.3° | 60.6° |
C3 | N1 | C2 | H29 | 177.2° | 179.3° |
N1 | C3 | H31 | H32 | 119.3° | 120.2° |
N1 | C5 | C6 | C7 | 178.3° | 180.0° |
C5 | N1 | C2 | C1 | 165.4° | 176.9° |
N1 | C5 | C6 | H3 | 1.7° | 0.1° |
C5 | N1 | C2 | H28 | 74.9° | 63.3° |
C5 | N1 | C2 | H29 | 45.6° | 56.8° |
C5 | N1 | C3 | H31 | 76.1° | 56.9° |
C5 | N1 | C3 | H32 | 43.5° | 63.3° |
C5 | C6 | C7 | H3 | 180.0° | 179.9° |
C5 | C6 | C7 | CL | 177.5° | 179.9° |
C6 | C5 | N1 | C2 | 12.4° | 60.0° |
C4 | N | C | C1 | 122.8° | 123.8° |
C4 | N | C1 | C2 | 59.0° | 59.3° |
N | C4 | H1 | H2 | 120.4° | 120.0° |
C4 | N | C | H16 | 180.0° | 60.0° |
C4 | N | C | H17 | 60.0° | 180.0° |
C4 | N | C | H18 | 60.0° | 60.0° |
C4 | N | C1 | H19 | 61.0° | 60.7° |
C4 | N | C1 | H20 | 179.1° | 179.3° |
N | C4 | C3 | H31 | 61.8° | 178.4° |
N | C4 | C3 | H32 | 178.6° | 61.6° |
C6 | C7 | C8 | H4 | 178.8° | 180.0° |
CL | C7 | C6 | H3 | 2.5° | 0.0° |
CL | C7 | C8 | H4 | 3.2° | 0.1° |
N1 | C2 | C1 | N | 55.6° | 58.4° |
N1 | C2 | C1 | H28 | 119.7° | 119.9° |
N1 | C2 | C1 | H29 | 119.7° | 120.0° |
N1 | C2 | C1 | H19 | 64.4° | 61.6° |
N1 | C2 | C1 | H20 | 175.6° | 178.4° |
N1 | C2 | H28 | H29 | 120.7° | 120.1° |
C2 | N1 | C3 | H31 | 60.7° | 179.3° |
C2 | N1 | C3 | H32 | 179.8° | 60.6° |
C | N | C1 | C2 | 179.3° | 176.8° |
C | N | C4 | H1 | 60.6° | 56.8° |
C | N | C4 | H2 | 59.7° | 63.2° |
N | C | H16 | H17 | 120.0° | 120.0° |
N | C | H16 | H18 | 120.0° | 120.0° |
N | C | H17 | H18 | 120.0° | 120.0° |
C | N | C1 | H19 | 60.7° | 63.2° |
C | N | C1 | H20 | 59.3° | 56.8° |
N | C1 | C2 | H19 | 120.0° | 120.0° |
N | C1 | C2 | H20 | 120.0° | 120.0° |
C1 | N | C4 | H1 | 61.1° | 179.3° |
C1 | N | C4 | H2 | 178.7° | 60.6° |
C1 | N | C | H16 | 57.2° | 176.2° |
C1 | N | C | H17 | 62.8° | 56.2° |
C1 | N | C | H18 | 177.2° | 63.8° |
N | C1 | H19 | H20 | 119.9° | 120.0° |
N | C1 | C2 | H28 | 64.1° | 61.5° |
N | C1 | C2 | H29 | 175.3° | 178.4° |
C2 | C1 | H19 | H20 | 119.9° | 120.0° |
C1 | C2 | H28 | H29 | 120.8° | 120.1° |
H1 | C4 | C3 | H31 | 178.3° | 61.6° |
H1 | C4 | C3 | H32 | 58.7° | 58.4° |
H2 | C4 | C3 | H31 | 58.0° | 58.4° |
H2 | C4 | C3 | H32 | 61.5° | 178.5° |
H5 | C15 | N4 | H33 | 133.0° | 25.1° |
H6 | C15 | N4 | H33 | 5.3° | 156.6° |
H9 | C21 | H10 | H11 | 120.0° | 119.9° |
H12 | C24 | H13 | H14 | 120.0° | 120.0° |
H16 | C | H17 | H18 | 120.0° | 120.0° |
H19 | C1 | C2 | H28 | 175.9° | 178.5° |
H19 | C1 | C2 | H29 | 55.3° | 58.4° |
H20 | C1 | C2 | H28 | 55.9° | 58.5° |
H20 | C1 | C2 | H29 | 64.6° | 61.6° |
H23 | C14 | N4 | H33 | 5.5° | 156.6° |
H24 | C14 | N4 | H33 | 133.1° | 25.1° |