IV3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C27 | C | sing | 1.54Å | 1.54Å | |
C27 | C2 | sing | 1.54Å | 1.54Å | |
F1 | C | sing | 1.40Å | 1.38Å | |
C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
C8 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
F | C | sing | 1.40Å | 1.37Å | |
C | C1 | sing | 1.54Å | 1.53Å | |
C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
C10 | CL | sing | 1.74Å | 1.74Å | |
C10 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
C2 | N | sing | 1.47Å | 1.46Å | |
C2 | C1 | sing | 1.54Å | 1.54Å | |
N | C3 | sing | 1.35Å | 1.33Å | |
C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
C5 | C4 | sing | 1.51Å | 1.52Å | |
C4 | C3 | sing | 1.51Å | 1.54Å | |
C4 | N1 | sing | 1.47Å | 1.49Å | |
C3 | O | doub | 1.21Å | 1.23Å | |
O1 | C16 | doub | 1.21Å | 1.22Å | |
N1 | C16 | sing | 1.35Å | 1.36Å | |
N1 | C11 | sing | 1.40Å | 1.43Å | |
C16 | C17 | sing | 1.51Å | 1.53Å | |
C11 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
C15 | C14 | sing | 1.39Å | 1.37Å | Aromatic |
F2 | C14 | sing | 1.35Å | 1.36Å | |
C12 | N2 | doub | 1.32Å | 1.33Å | Aromatic |
C14 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
C23 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
C22 | N4 | sing | 1.32Å | 1.34Å | Aromatic |
N5 | C25 | trip | 1.14Å | 1.14Å | |
C25 | C24 | sing | 1.43Å | 1.44Å | |
N4 | C21 | doub | 1.32Å | 1.35Å | Aromatic |
C24 | C26 | doub | 1.40Å | 1.39Å | Aromatic |
C17 | N3 | sing | 1.47Å | 1.49Å | |
C17 | C18 | sing | 1.55Å | 1.54Å | |
C13 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
C21 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
C21 | N3 | sing | 1.39Å | 1.42Å | |
N3 | C20 | sing | 1.34Å | 1.37Å | |
C18 | C19 | sing | 1.55Å | 1.52Å | |
C20 | O2 | doub | 1.21Å | 1.22Å | |
C20 | C19 | sing | 1.51Å | 1.49Å | |
C4 | H1 | sing | 1.09Å | 1.10Å | |
C6 | H2 | sing | 1.08Å | 1.08Å | |
C7 | H3 | sing | 1.08Å | 1.08Å | |
C8 | H4 | sing | 1.08Å | 1.08Å | |
C13 | H5 | sing | 1.08Å | 1.08Å | |
C15 | H6 | sing | 1.08Å | 1.08Å | |
C17 | H7 | sing | 1.09Å | 1.10Å | |
C22 | H8 | sing | 1.08Å | 1.08Å | |
C26 | H9 | sing | 1.08Å | 1.08Å | |
C23 | H10 | sing | 1.08Å | 1.08Å | |
C19 | H11 | sing | 1.09Å | 1.10Å | |
C19 | H12 | sing | 1.09Å | 1.10Å | |
C18 | H13 | sing | 1.09Å | 1.10Å | |
C18 | H14 | sing | 1.09Å | 1.10Å | |
C12 | H15 | sing | 1.08Å | 1.08Å | |
N | H16 | sing | 0.97Å | 1.00Å | |
C2 | H17 | sing | 1.09Å | 1.10Å | |
C1 | H18 | sing | 1.09Å | 1.10Å | |
C1 | H19 | sing | 1.09Å | 1.10Å | |
C27 | H20 | sing | 1.09Å | 1.10Å | |
C27 | H21 | sing | 1.09Å | 1.10Å | |
C9 | H22 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C | C27 | C2 | 89.5° | 87.1° |
C27 | C | F1 | 115.8° | 113.6° |
C27 | C | F | 116.0° | 113.6° |
C27 | C | C1 | 88.7° | 87.1° |
C | C27 | H20 | 114.2° | 113.6° |
C | C27 | H21 | 114.2° | 113.7° |
C27 | C2 | N | 117.8° | 113.6° |
C27 | C2 | C1 | 88.5° | 87.1° |
C27 | C2 | H17 | 110.1° | 113.7° |
C2 | C27 | H20 | 114.2° | 113.6° |
C2 | C27 | H21 | 114.2° | 113.6° |
F1 | C | F | 105.7° | 112.9° |
F1 | C | C1 | 115.6° | 113.6° |
C9 | C8 | C7 | 120.0° | 120.0° |
C8 | C9 | C10 | 119.3° | 119.9° |
C9 | C8 | H4 | 120.0° | 119.9° |
C8 | C9 | H22 | 120.4° | 120.0° |
C8 | C7 | C6 | 120.3° | 120.1° |
C8 | C7 | H3 | 119.9° | 120.0° |
C7 | C8 | H4 | 120.0° | 120.0° |
F | C | C1 | 114.9° | 113.6° |
C | C1 | C2 | 89.9° | 87.1° |
C | C1 | H18 | 114.1° | 113.6° |
C | C1 | H19 | 114.1° | 113.7° |
C9 | C10 | CL | 117.5° | 120.0° |
C9 | C10 | C5 | 122.2° | 120.0° |
C10 | C9 | H22 | 120.3° | 120.0° |
C7 | C6 | C5 | 121.4° | 120.0° |
C7 | C6 | H2 | 119.3° | 120.0° |
C6 | C7 | H3 | 119.9° | 119.9° |
CL | C10 | C5 | 120.4° | 120.0° |
C10 | C5 | C6 | 116.9° | 120.0° |
C10 | C5 | C4 | 122.9° | 120.0° |
N | C2 | C1 | 117.4° | 113.6° |
C2 | N | C3 | 123.1° | 120.0° |
C2 | N | H16 | 118.4° | 120.0° |
N | C2 | H17 | 111.2° | 112.8° |
C1 | C2 | H17 | 110.1° | 113.7° |
C2 | C1 | H18 | 114.1° | 113.6° |
C2 | C1 | H19 | 114.1° | 113.6° |
N | C3 | C4 | 116.5° | 120.0° |
N | C3 | O | 122.8° | 120.0° |
C3 | N | H16 | 118.4° | 120.0° |
C6 | C5 | C4 | 120.2° | 120.0° |
C5 | C6 | H2 | 119.3° | 120.1° |
C5 | C4 | C3 | 114.8° | 109.4° |
C5 | C4 | N1 | 114.7° | 109.5° |
C5 | C4 | H1 | 105.6° | 109.5° |
C3 | C4 | N1 | 109.4° | 109.5° |
C4 | C3 | O | 120.7° | 120.0° |
C3 | C4 | H1 | 105.4° | 109.5° |
C4 | N1 | C16 | 117.9° | 120.0° |
C4 | N1 | C11 | 119.7° | 120.0° |
N1 | C4 | H1 | 106.0° | 109.5° |
O1 | C16 | N1 | 121.6° | 120.0° |
O1 | C16 | C17 | 120.6° | 120.0° |
C16 | N1 | C11 | 122.2° | 120.0° |
N1 | C16 | C17 | 117.8° | 120.0° |
N1 | C11 | C15 | 120.2° | 120.5° |
N1 | C11 | C12 | 121.1° | 120.5° |
C16 | C17 | N3 | 110.7° | 110.2° |
C16 | C17 | C18 | 111.2° | 110.2° |
C16 | C17 | H7 | 110.3° | 110.3° |
C15 | C11 | C12 | 118.7° | 119.1° |
C11 | C15 | C14 | 116.8° | 118.3° |
C11 | C15 | H6 | 121.6° | 120.9° |
C11 | C12 | N2 | 123.4° | 120.7° |
C11 | C12 | H15 | 118.3° | 119.6° |
C15 | C14 | F2 | 118.8° | 120.4° |
C15 | C14 | C13 | 121.6° | 119.2° |
C14 | C15 | H6 | 121.6° | 120.8° |
F2 | C14 | C13 | 119.5° | 120.4° |
C12 | N2 | C13 | 117.4° | 121.8° |
N2 | C12 | H15 | 118.3° | 119.7° |
C14 | C13 | N2 | 122.0° | 120.9° |
C14 | C13 | H5 | 119.0° | 119.6° |
C22 | C23 | C24 | 118.3° | 119.1° |
C23 | C22 | N4 | 123.9° | 121.0° |
C23 | C22 | H8 | 118.0° | 119.5° |
C22 | C23 | H10 | 120.8° | 120.4° |
C23 | C24 | C25 | 120.4° | 120.9° |
C23 | C24 | C26 | 119.6° | 118.2° |
C24 | C23 | H10 | 120.9° | 120.5° |
C22 | N4 | C21 | 117.4° | 122.0° |
N4 | C22 | H8 | 118.0° | 119.5° |
N5 | C25 | C24 | 178.5° | 180.0° |
C25 | C24 | C26 | 120.0° | 120.9° |
N4 | C21 | C26 | 123.2° | 120.7° |
N4 | C21 | N3 | 114.4° | 119.6° |
C24 | C26 | C21 | 117.6° | 118.9° |
C24 | C26 | H9 | 121.2° | 120.5° |
N3 | C17 | C18 | 103.3° | 105.5° |
C17 | N3 | C21 | 121.9° | 124.4° |
C17 | N3 | C20 | 111.9° | 111.3° |
N3 | C17 | H7 | 110.9° | 110.2° |
C17 | C18 | C19 | 105.0° | 101.8° |
C18 | C17 | H7 | 110.2° | 110.3° |
C17 | C18 | H13 | 110.6° | 111.0° |
C17 | C18 | H14 | 110.5° | 110.9° |
N2 | C13 | H5 | 119.0° | 119.6° |
C26 | C21 | N3 | 122.3° | 119.7° |
C21 | C26 | H9 | 121.2° | 120.5° |
C21 | N3 | C20 | 126.2° | 124.3° |
N3 | C20 | O2 | 125.5° | 124.9° |
N3 | C20 | C19 | 107.1° | 110.1° |
C18 | C19 | C20 | 103.7° | 104.2° |
C18 | C19 | H11 | 110.9° | 110.5° |
C18 | C19 | H12 | 110.9° | 110.7° |
C19 | C18 | H13 | 110.5° | 110.9° |
C19 | C18 | H14 | 110.6° | 111.0° |
O2 | C20 | C19 | 127.3° | 124.9° |
C20 | C19 | H11 | 110.9° | 110.5° |
C20 | C19 | H12 | 110.9° | 110.5° |
H11 | C19 | H12 | 109.5° | 110.4° |
H13 | C18 | H14 | 109.5° | 110.9° |
H18 | C1 | H19 | 109.4° | 112.9° |
H20 | C27 | H21 | 109.5° | 112.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C | C27 | C2 | H20 | 116.5° | 114.5° |
C | C27 | C2 | H21 | 116.5° | 114.6° |
C27 | C | F1 | F | 130.0° | 131.2° |
C27 | C | F1 | C1 | 101.8° | 97.5° |
C27 | C | F | C1 | 101.5° | 97.5° |
C | C27 | C2 | N | 106.5° | 139.9° |
C | C27 | C2 | C1 | 13.8° | 25.4° |
C | C27 | C2 | H17 | 124.6° | 89.2° |
C27 | C | C1 | H18 | 130.5° | 139.9° |
C27 | C | C1 | H19 | 102.7° | 89.1° |
C | C27 | H20 | H21 | 129.4° | 131.3° |
C2 | C27 | C | F1 | 104.1° | 140.0° |
C2 | C27 | C | F | 131.1° | 89.1° |
C27 | C2 | N | C1 | 103.8° | 97.5° |
C27 | C2 | N | H17 | 128.3° | 131.3° |
C27 | C2 | C1 | H17 | 110.8° | 114.6° |
C27 | C2 | N | C3 | 175.0° | 107.5° |
C27 | C2 | N | H16 | 5.0° | 72.4° |
C27 | C2 | C1 | H18 | 130.5° | 140.0° |
C27 | C2 | C1 | H19 | 102.6° | 89.2° |
C2 | C27 | H20 | H21 | 129.5° | 131.2° |
F1 | C | F | C1 | 128.7° | 131.2° |
F1 | C | C1 | C2 | 104.3° | 140.0° |
F1 | C | C1 | H18 | 12.3° | 105.5° |
F1 | C | C1 | H19 | 139.2° | 25.4° |
F1 | C | C27 | H20 | 139.4° | 25.5° |
F1 | C | C27 | H21 | 12.4° | 105.5° |
C9 | C8 | C7 | H4 | 180.0° | 179.8° |
C8 | C9 | C10 | H22 | 180.0° | 179.7° |
C9 | C8 | C7 | C6 | 0.1° | 0.1° |
C8 | C9 | C10 | CL | 179.7° | 179.8° |
C8 | C9 | C10 | C5 | 0.1° | 0.5° |
C9 | C8 | C7 | H3 | 179.9° | 180.0° |
C7 | C8 | C9 | C10 | 0.0° | 0.2° |
C8 | C7 | C6 | H3 | 180.0° | 179.9° |
C8 | C7 | C6 | C5 | 0.0° | 0.1° |
C8 | C7 | C6 | H2 | 180.0° | 180.0° |
C7 | C8 | C9 | H22 | 180.0° | 180.0° |
F | C | C1 | C2 | 132.2° | 89.1° |
F | C | C1 | H18 | 111.3° | 25.4° |
F | C | C1 | H19 | 15.6° | 156.4° |
F | C | C27 | H20 | 14.7° | 156.4° |
F | C | C27 | H21 | 112.4° | 25.4° |
C | C1 | C2 | N | 106.8° | 140.0° |
C | C1 | C2 | H18 | 116.6° | 114.6° |
C | C1 | C2 | H19 | 116.6° | 114.6° |
C | C1 | C2 | H17 | 124.7° | 89.2° |
C | C1 | H18 | H19 | 129.3° | 131.3° |
C1 | C | C27 | H20 | 102.6° | 89.1° |
C1 | C | C27 | H21 | 130.4° | 140.0° |
C9 | C10 | CL | C5 | 179.6° | 179.7° |
C9 | C10 | C5 | C6 | 0.3° | 0.5° |
C9 | C10 | C5 | C4 | 179.8° | 179.7° |
C10 | C9 | C8 | H4 | 180.0° | 179.9° |
C7 | C6 | C5 | C10 | 0.2° | 0.2° |
C7 | C6 | C5 | H2 | 180.0° | 179.9° |
C7 | C6 | C5 | C4 | 179.8° | 180.0° |
C6 | C7 | C8 | H4 | 179.9° | 179.8° |
CL | C10 | C5 | C6 | 179.8° | 179.8° |
CL | C10 | C5 | C4 | 0.6° | 0.0° |
CL | C10 | C9 | H22 | 0.3° | 0.0° |
C10 | C5 | C6 | C4 | 179.6° | 179.8° |
C10 | C5 | C4 | C3 | 161.1° | 87.9° |
C10 | C5 | C4 | N1 | 70.8° | 152.1° |
C10 | C5 | C4 | H1 | 45.5° | 32.1° |
C10 | C5 | C6 | H2 | 179.8° | 179.7° |
C5 | C10 | C9 | H22 | 179.9° | 179.7° |
N | C2 | C1 | H17 | 128.5° | 130.8° |
C2 | N | C3 | H16 | 180.0° | 179.9° |
C2 | N | C3 | C4 | 175.5° | 180.0° |
C2 | N | C3 | O | 3.3° | 0.0° |
N | C2 | C1 | H18 | 9.8° | 105.5° |
N | C2 | C1 | H19 | 136.6° | 25.3° |
N | C2 | C27 | H20 | 137.0° | 25.4° |
N | C2 | C27 | H21 | 9.9° | 105.5° |
C1 | C2 | N | C3 | 71.2° | 155.0° |
C1 | C2 | N | H16 | 108.8° | 25.1° |
C2 | C1 | H18 | H19 | 129.3° | 131.2° |
C1 | C2 | C27 | H20 | 102.7° | 89.1° |
C1 | C2 | C27 | H21 | 130.3° | 140.0° |
N | C3 | C4 | C5 | 69.9° | 53.0° |
N | C3 | C4 | O | 178.8° | 180.0° |
N | C3 | C4 | N1 | 159.4° | 173.0° |
N | C3 | C4 | H1 | 45.9° | 67.0° |
C3 | N | C2 | H17 | 56.8° | 23.8° |
C6 | C5 | C4 | C3 | 18.4° | 91.9° |
C6 | C5 | C4 | N1 | 109.7° | 28.1° |
C6 | C5 | C4 | H1 | 134.1° | 148.1° |
C5 | C6 | C7 | H3 | 179.9° | 180.0° |
C5 | C4 | C3 | N1 | 130.7° | 120.0° |
C5 | C4 | C3 | H1 | 115.8° | 120.0° |
C5 | C4 | N1 | H1 | 116.0° | 120.0° |
C5 | C4 | C3 | O | 111.3° | 127.0° |
C5 | C4 | N1 | C16 | 153.6° | 67.2° |
C5 | C4 | N1 | C11 | 30.6° | 113.2° |
C4 | C5 | C6 | H2 | 0.2° | 0.1° |
C3 | C4 | N1 | H1 | 113.2° | 120.0° |
C3 | C4 | N1 | C16 | 75.6° | 172.9° |
C3 | C4 | N1 | C11 | 100.2° | 6.8° |
C4 | C3 | N | H16 | 4.5° | 0.1° |
N1 | C4 | C3 | O | 19.4° | 7.0° |
C4 | N1 | C16 | O1 | 23.2° | 6.1° |
C4 | N1 | C16 | C11 | 175.7° | 179.7° |
C4 | N1 | C16 | C17 | 156.6° | 173.9° |
C4 | N1 | C11 | C15 | 96.6° | 100.4° |
C4 | N1 | C11 | C12 | 83.6° | 80.3° |
O | C3 | C4 | H1 | 132.9° | 113.0° |
O | C3 | N | H16 | 176.7° | 179.9° |
O1 | C16 | N1 | C17 | 179.8° | 180.0° |
O1 | C16 | N1 | C11 | 161.1° | 174.2° |
O1 | C16 | C17 | N3 | 34.0° | 22.3° |
O1 | C16 | C17 | C18 | 80.2° | 93.7° |
O1 | C16 | C17 | H7 | 157.2° | 144.3° |
C16 | N1 | C11 | C15 | 87.8° | 79.3° |
C16 | N1 | C11 | C12 | 92.0° | 100.0° |
N1 | C16 | C17 | N3 | 146.2° | 157.7° |
N1 | C16 | C17 | C18 | 99.6° | 86.3° |
C16 | N1 | C4 | H1 | 37.6° | 52.8° |
N1 | C16 | C17 | H7 | 23.0° | 35.7° |
C11 | N1 | C16 | C17 | 19.1° | 5.8° |
N1 | C11 | C15 | C12 | 179.8° | 179.3° |
N1 | C11 | C15 | C14 | 179.1° | 180.0° |
N1 | C11 | C12 | N2 | 179.5° | 179.8° |
C11 | N1 | C4 | H1 | 146.6° | 126.8° |
N1 | C11 | C15 | H6 | 0.9° | 0.5° |
N1 | C11 | C12 | H15 | 0.6° | 0.7° |
C16 | C17 | N3 | C18 | 119.1° | 118.9° |
C16 | C17 | N3 | H7 | 122.8° | 122.0° |
C16 | C17 | C18 | H7 | 122.7° | 122.1° |
C16 | C17 | N3 | C21 | 64.0° | 44.3° |
C16 | C17 | N3 | C20 | 114.0° | 136.0° |
C16 | C17 | C18 | C19 | 132.6° | 144.4° |
C16 | C17 | C18 | H13 | 13.4° | 26.3° |
C16 | C17 | C18 | H14 | 108.1° | 97.5° |
C11 | C15 | C14 | H6 | 180.0° | 179.5° |
C11 | C15 | C14 | F2 | 174.6° | 179.5° |
C15 | C11 | C12 | N2 | 0.3° | 0.5° |
C11 | C15 | C14 | C13 | 1.9° | 0.5° |
C15 | C11 | C12 | H15 | 179.7° | 180.0° |
C12 | C11 | C15 | C14 | 1.1° | 0.7° |
C11 | C12 | N2 | H15 | 180.0° | 179.5° |
C11 | C12 | N2 | C13 | 1.0° | 0.0° |
C12 | C11 | C15 | H6 | 178.9° | 179.7° |
C15 | C14 | F2 | C13 | 176.6° | 180.0° |
C15 | C14 | C13 | N2 | 1.3° | 0.1° |
C15 | C14 | C13 | H5 | 178.7° | 179.7° |
F2 | C14 | C13 | N2 | 175.2° | 179.9° |
F2 | C14 | C13 | H5 | 4.8° | 0.3° |
F2 | C14 | C15 | H6 | 5.3° | 0.0° |
C12 | N2 | C13 | C14 | 0.2° | 0.2° |
C12 | N2 | C13 | H5 | 179.8° | 180.0° |
C14 | C13 | N2 | H5 | 180.0° | 179.8° |
C13 | C14 | C15 | H6 | 178.1° | 180.0° |
C22 | C23 | C24 | H10 | 180.0° | 179.7° |
C23 | C22 | N4 | H8 | 180.0° | 179.9° |
C22 | C23 | C24 | C25 | 177.1° | 180.0° |
C23 | C22 | N4 | C21 | 0.4° | 0.1° |
C22 | C23 | C24 | C26 | 0.3° | 0.5° |
C24 | C23 | C22 | N4 | 0.1° | 0.2° |
C23 | C24 | C25 | N5 | 175.9° | 2.2° |
C23 | C24 | C25 | C26 | 177.3° | 179.4° |
C23 | C24 | C26 | C21 | 1.1° | 0.5° |
C24 | C23 | C22 | H8 | 179.9° | 179.7° |
C23 | C24 | C26 | H9 | 179.0° | 179.5° |
C22 | N4 | C21 | C26 | 1.3° | 0.1° |
C22 | N4 | C21 | N3 | 174.8° | 179.7° |
N4 | C22 | C23 | H10 | 179.9° | 180.0° |
N5 | C25 | C24 | C26 | 1.4° | 177.2° |
C25 | C24 | C26 | C21 | 176.3° | 180.0° |
C25 | C24 | C26 | H9 | 3.7° | 0.0° |
C25 | C24 | C23 | H10 | 2.9° | 0.3° |
N4 | C21 | C26 | C24 | 1.6° | 0.3° |
N4 | C21 | N3 | C17 | 14.9° | 2.4° |
N4 | C21 | C26 | N3 | 175.8° | 179.8° |
N4 | C21 | N3 | C20 | 167.3° | 177.3° |
C21 | N4 | C22 | H8 | 179.6° | 180.0° |
N4 | C21 | C26 | H9 | 178.4° | 179.8° |
C24 | C26 | C21 | H9 | 180.0° | 180.0° |
C24 | C26 | C21 | N3 | 174.2° | 180.0° |
C26 | C24 | C23 | H10 | 179.7° | 179.7° |
N3 | C17 | C18 | H7 | 118.6° | 119.0° |
C17 | N3 | C21 | C26 | 161.3° | 177.8° |
C17 | N3 | C21 | C20 | 177.8° | 179.7° |
N3 | C17 | C18 | C19 | 13.9° | 25.4° |
C17 | N3 | C20 | O2 | 154.8° | 179.6° |
C17 | N3 | C20 | C19 | 22.5° | 0.4° |
N3 | C17 | C18 | H13 | 105.4° | 92.7° |
N3 | C17 | C18 | H14 | 133.2° | 143.6° |
C18 | C17 | N3 | C21 | 176.9° | 163.2° |
C18 | C17 | N3 | C20 | 5.1° | 17.0° |
C17 | C18 | C19 | H13 | 119.3° | 118.2° |
C17 | C18 | C19 | H14 | 119.3° | 118.1° |
C17 | C18 | C19 | C20 | 26.5° | 24.8° |
C17 | C18 | C19 | H11 | 145.6° | 93.8° |
C17 | C18 | C19 | H12 | 92.6° | 143.6° |
C17 | C18 | H13 | H14 | 122.0° | 123.8° |
C13 | N2 | C12 | H15 | 179.0° | 179.6° |
C26 | C21 | N3 | C20 | 16.5° | 2.5° |
C21 | N3 | C20 | O2 | 23.1° | 0.1° |
C21 | N3 | C20 | C19 | 159.5° | 179.9° |
C21 | N3 | C17 | H7 | 58.8° | 77.8° |
N3 | C21 | C26 | H9 | 5.8° | 0.0° |
N3 | C20 | C19 | C18 | 30.4° | 16.3° |
N3 | C20 | O2 | C19 | 176.8° | 180.0° |
C20 | N3 | C17 | H7 | 123.2° | 102.0° |
N3 | C20 | C19 | H11 | 149.5° | 102.4° |
N3 | C20 | C19 | H12 | 88.7° | 135.1° |
C18 | C19 | C20 | O2 | 146.9° | 163.7° |
C18 | C19 | C20 | H11 | 119.1° | 118.6° |
C18 | C19 | C20 | H12 | 119.1° | 118.9° |
C19 | C18 | C17 | H7 | 104.7° | 93.6° |
C18 | C19 | H11 | H12 | 122.7° | 122.7° |
C19 | C18 | H13 | H14 | 122.1° | 123.8° |
O2 | C20 | C19 | H11 | 27.8° | 77.6° |
O2 | C20 | C19 | H12 | 94.0° | 44.8° |
C20 | C19 | H11 | H12 | 122.7° | 122.5° |
C20 | C19 | C18 | H13 | 92.8° | 93.3° |
C20 | C19 | C18 | H14 | 145.8° | 142.9° |
H2 | C6 | C7 | H3 | 0.1° | 0.1° |
H3 | C7 | C8 | H4 | 0.1° | 0.1° |
H4 | C8 | C9 | H22 | 0.0° | 0.2° |
H7 | C17 | C18 | H13 | 136.1° | 148.3° |
H7 | C17 | C18 | H14 | 14.6° | 24.6° |
H8 | C22 | C23 | H10 | 0.1° | 0.0° |
H11 | C19 | C18 | H13 | 26.3° | 148.0° |
H11 | C19 | C18 | H14 | 95.1° | 24.3° |
H12 | C19 | C18 | H13 | 148.1° | 25.4° |
H12 | C19 | C18 | H14 | 26.7° | 98.3° |
H16 | N | C2 | H17 | 123.3° | 156.3° |
H17 | C2 | C1 | H18 | 118.7° | 25.3° |
H17 | C2 | C1 | H19 | 8.2° | 156.2° |
H17 | C2 | C27 | H20 | 8.2° | 156.3° |
H17 | C2 | C27 | H21 | 118.9° | 25.4° |