VLC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | C | sing | 1.49Å | 1.52Å | |
C | C1 | sing | 1.55Å | 1.53Å | |
C1 | C2 | sing | 1.56Å | 1.55Å | |
C2 | C3 | sing | 1.55Å | 1.53Å | |
N | C3 | sing | 1.49Å | 1.51Å | |
C3 | C4 | sing | 1.54Å | 1.54Å | |
C4 | N1 | sing | 1.47Å | 1.51Å | |
C5 | N1 | sing | 1.47Å | 1.50Å | |
C | C5 | sing | 1.54Å | 1.53Å | |
N1 | C6 | sing | 1.40Å | 1.48Å | |
C6 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
C7 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
N2 | C8 | doub | 1.33Å | 1.34Å | Aromatic |
N3 | N2 | sing | 1.28Å | 1.34Å | Aromatic |
C9 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
C6 | C9 | sing | 1.40Å | 1.42Å | Aromatic |
N4 | C9 | sing | 1.39Å | 1.34Å | |
C8 | C10 | sing | 1.48Å | 1.49Å | |
C10 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
C11 | O | sing | 1.36Å | 1.35Å | |
C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
C10 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
C16 | N | sing | 1.39Å | 1.48Å | |
C16 | C17 | doub | 1.40Å | 1.38Å | Aromatic |
C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
C18 | N5 | doub | 1.32Å | 1.34Å | Aromatic |
N5 | C19 | sing | 1.32Å | 1.32Å | Aromatic |
O1 | C19 | sing | 1.36Å | 1.36Å | |
C20 | O1 | sing | 1.43Å | 1.44Å | |
C21 | C20 | sing | 1.53Å | 1.50Å | |
O2 | C21 | sing | 1.43Å | 1.43Å | |
C22 | O2 | sing | 1.43Å | 1.42Å | |
C19 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
C23 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
O | H15 | sing | 0.97Å | 0.95Å | |
C12 | H16 | sing | 1.08Å | 1.08Å | |
C13 | H17 | sing | 1.08Å | 1.08Å | |
C14 | H18 | sing | 1.08Å | 1.08Å | |
C15 | H19 | sing | 1.08Å | 1.08Å | |
C7 | H12 | sing | 1.08Å | 1.08Å | |
N4 | H14 | sing | 0.97Å | 1.00Å | |
N4 | H13 | sing | 0.97Å | 1.00Å | |
C5 | H11 | sing | 1.09Å | 1.10Å | |
C5 | H10 | sing | 1.09Å | 1.10Å | |
C | H1 | sing | 1.09Å | 1.10Å | |
C4 | H9 | sing | 1.09Å | 1.10Å | |
C4 | H8 | sing | 1.09Å | 1.10Å | |
C3 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H7 | sing | 1.09Å | 1.10Å | |
C2 | H6 | sing | 1.09Å | 1.10Å | |
C1 | H4 | sing | 1.09Å | 1.10Å | |
C1 | H5 | sing | 1.09Å | 1.10Å | |
C23 | H29 | sing | 1.08Å | 1.08Å | |
C18 | H21 | sing | 1.08Å | 1.08Å | |
C17 | H20 | sing | 1.08Å | 1.08Å | |
C20 | H22 | sing | 1.09Å | 1.10Å | |
C20 | H23 | sing | 1.09Å | 1.10Å | |
C21 | H25 | sing | 1.09Å | 1.10Å | |
C21 | H24 | sing | 1.09Å | 1.10Å | |
C22 | H26 | sing | 1.09Å | 1.10Å | |
C22 | H28 | sing | 1.09Å | 1.10Å | |
C22 | H27 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N | C | C1 | 102.3° | 104.0° |
C | N | C3 | 104.3° | 103.0° |
N | C | C5 | 103.7° | 106.9° |
C | N | C16 | 119.1° | 111.0° |
N | C | H1 | 112.2° | 113.0° |
C | C1 | C2 | 105.9° | 104.9° |
C1 | C | C5 | 113.8° | 107.6° |
C1 | C | H1 | 112.1° | 112.4° |
C | C1 | H4 | 110.3° | 110.4° |
C | C1 | H5 | 110.4° | 110.4° |
C1 | C2 | C3 | 105.9° | 103.9° |
C1 | C2 | H7 | 110.4° | 110.5° |
C1 | C2 | H6 | 110.4° | 111.1° |
C2 | C1 | H4 | 110.3° | 110.3° |
C2 | C1 | H5 | 110.3° | 110.3° |
C2 | C3 | N | 102.0° | 104.6° |
C2 | C3 | C4 | 113.4° | 107.6° |
C2 | C3 | H2 | 112.2° | 112.4° |
C3 | C2 | H7 | 110.4° | 110.4° |
C3 | C2 | H6 | 110.3° | 110.4° |
N | C3 | C4 | 103.8° | 106.9° |
C3 | N | C16 | 129.6° | 111.0° |
N | C3 | H2 | 112.5° | 112.4° |
C3 | C4 | N1 | 111.3° | 109.0° |
C3 | C4 | H9 | 109.0° | 109.6° |
C3 | C4 | H8 | 109.0° | 109.7° |
C4 | C3 | H2 | 112.1° | 112.3° |
C4 | N1 | C5 | 113.3° | 111.6° |
C4 | N1 | C6 | 116.0° | 111.0° |
N1 | C4 | H9 | 109.0° | 109.6° |
N1 | C4 | H8 | 109.0° | 109.5° |
N1 | C5 | C | 110.4° | 109.0° |
C5 | N1 | C6 | 113.4° | 111.0° |
N1 | C5 | H11 | 109.2° | 109.5° |
N1 | C5 | H10 | 109.2° | 109.6° |
C | C5 | H11 | 109.2° | 109.6° |
C | C5 | H10 | 109.2° | 109.7° |
C5 | C | H1 | 112.0° | 112.3° |
N1 | C6 | C7 | 120.3° | 121.1° |
N1 | C6 | C9 | 123.4° | 121.1° |
C6 | C7 | C8 | 119.1° | 117.8° |
C7 | C6 | C9 | 116.3° | 117.9° |
C6 | C7 | H12 | 120.5° | 121.1° |
C7 | C8 | N2 | 121.5° | 119.9° |
C7 | C8 | C10 | 121.9° | 120.1° |
C8 | C7 | H12 | 120.5° | 121.1° |
C8 | N2 | N3 | 120.5° | 122.3° |
N2 | C8 | C10 | 116.4° | 120.0° |
N2 | N3 | C9 | 119.8° | 122.3° |
N3 | C9 | C6 | 122.8° | 119.8° |
N3 | C9 | N4 | 115.6° | 120.1° |
C6 | C9 | N4 | 121.6° | 120.1° |
C9 | N4 | H14 | 109.5° | 120.0° |
C9 | N4 | H13 | 109.5° | 120.0° |
C8 | C10 | C11 | 122.0° | 120.2° |
C8 | C10 | C15 | 119.5° | 120.2° |
C10 | C11 | O | 123.6° | 120.1° |
C10 | C11 | C12 | 120.5° | 119.7° |
C11 | C10 | C15 | 118.1° | 119.7° |
O | C11 | C12 | 115.8° | 120.1° |
C11 | O | H15 | 109.5° | 114.0° |
C11 | C12 | C13 | 120.0° | 120.1° |
C11 | C12 | H16 | 120.0° | 119.9° |
C12 | C13 | C14 | 120.1° | 120.3° |
C13 | C12 | H16 | 120.0° | 120.0° |
C12 | C13 | H17 | 119.9° | 119.9° |
C13 | C14 | C15 | 120.4° | 120.2° |
C14 | C13 | H17 | 119.9° | 119.9° |
C13 | C14 | H18 | 119.8° | 119.8° |
C14 | C15 | C10 | 120.7° | 120.0° |
C15 | C14 | H18 | 119.8° | 119.9° |
C14 | C15 | H19 | 119.6° | 120.0° |
C10 | C15 | H19 | 119.7° | 120.0° |
N | C16 | C17 | 120.5° | 120.8° |
N | C16 | C23 | 120.6° | 120.8° |
C16 | C17 | C18 | 118.6° | 119.2° |
C17 | C16 | C23 | 118.2° | 118.4° |
C16 | C17 | H20 | 120.7° | 120.4° |
C17 | C18 | N5 | 124.1° | 120.9° |
C17 | C18 | H21 | 118.0° | 119.6° |
C18 | C17 | H20 | 120.7° | 120.4° |
C18 | N5 | C19 | 116.6° | 121.8° |
N5 | C18 | H21 | 117.9° | 119.5° |
N5 | C19 | O1 | 119.4° | 119.7° |
N5 | C19 | C23 | 124.0° | 120.7° |
C19 | O1 | C20 | 117.7° | 117.0° |
O1 | C19 | C23 | 116.6° | 119.6° |
O1 | C20 | C21 | 109.9° | 109.4° |
O1 | C20 | H22 | 109.4° | 109.4° |
O1 | C20 | H23 | 109.4° | 109.5° |
C20 | C21 | O2 | 114.3° | 109.5° |
C21 | C20 | H22 | 109.3° | 109.5° |
C21 | C20 | H23 | 109.3° | 109.5° |
C20 | C21 | H25 | 108.2° | 109.5° |
C20 | C21 | H24 | 108.2° | 109.4° |
C21 | O2 | C22 | 113.7° | 114.0° |
O2 | C21 | H25 | 108.3° | 109.5° |
O2 | C21 | H24 | 108.3° | 109.5° |
O2 | C22 | H26 | 109.5° | 109.5° |
O2 | C22 | H28 | 109.5° | 109.5° |
O2 | C22 | H27 | 109.4° | 109.5° |
C19 | C23 | C16 | 118.4° | 119.0° |
C19 | C23 | H29 | 120.8° | 120.5° |
C16 | C23 | H29 | 120.8° | 120.5° |
H14 | N4 | H13 | 109.5° | 120.0° |
H11 | C5 | H10 | 109.5° | 109.5° |
H9 | C4 | H8 | 109.5° | 109.6° |
H7 | C2 | H6 | 109.5° | 110.4° |
H4 | C1 | H5 | 109.5° | 110.4° |
H22 | C20 | H23 | 109.4° | 109.5° |
H25 | C21 | H24 | 109.5° | 109.5° |
H26 | C22 | H28 | 109.5° | 109.4° |
H26 | C22 | H27 | 109.5° | 109.4° |
H28 | C22 | H27 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N | C | C1 | C5 | 111.2° | 113.2° |
N | C | C1 | H1 | 120.4° | 122.6° |
N | C | C1 | C2 | 24.2° | 26.0° |
C | N | C3 | C2 | 43.4° | 43.1° |
C | N | C3 | C16 | 149.5° | 118.8° |
C | N | C3 | C4 | 74.7° | 70.9° |
N | C | C5 | N1 | 62.3° | 63.6° |
N | C | C5 | H1 | 121.3° | 124.5° |
C | N | C16 | C17 | 17.1° | 0.0° |
C | N | C16 | C23 | 171.8° | 179.7° |
N | C | C5 | H11 | 177.6° | 176.5° |
N | C | C5 | H10 | 57.9° | 56.3° |
C | N | C3 | H2 | 163.9° | 165.4° |
N | C | C1 | H4 | 143.7° | 144.8° |
N | C | C1 | H5 | 95.2° | 92.8° |
C | C1 | C2 | H4 | 119.4° | 118.9° |
C | C1 | C2 | H5 | 119.4° | 118.8° |
C | C1 | C2 | C3 | 1.8° | 0.1° |
C1 | C | N | C3 | 42.3° | 42.8° |
C1 | C | C5 | N1 | 48.0° | 47.6° |
C1 | C | C5 | H1 | 128.5° | 124.2° |
C1 | C | N | C16 | 111.1° | 76.0° |
C1 | C | C5 | H11 | 72.1° | 72.2° |
C1 | C | C5 | H10 | 168.2° | 167.5° |
C | C1 | C2 | H7 | 121.2° | 118.5° |
C | C1 | C2 | H6 | 117.6° | 118.7° |
C | C1 | H4 | H5 | 121.7° | 122.3° |
C1 | C2 | C3 | H7 | 119.5° | 118.5° |
C1 | C2 | C3 | H6 | 119.4° | 119.2° |
C1 | C2 | C3 | N | 27.2° | 26.0° |
C1 | C2 | C3 | C4 | 83.8° | 87.5° |
C2 | C1 | C | C5 | 86.9° | 87.3° |
C2 | C1 | C | H1 | 144.7° | 148.6° |
C1 | C2 | C3 | H2 | 147.9° | 148.3° |
C1 | C2 | H7 | H6 | 121.7° | 123.3° |
C2 | C1 | H4 | H5 | 121.6° | 122.2° |
C2 | C3 | N | C4 | 118.1° | 114.0° |
C2 | C3 | N | H2 | 120.5° | 122.3° |
C2 | C3 | C4 | H2 | 128.4° | 124.2° |
C2 | C3 | C4 | N1 | 49.9° | 48.3° |
C2 | C3 | N | C16 | 106.1° | 75.8° |
C2 | C3 | C4 | H9 | 70.4° | 168.2° |
C2 | C3 | C4 | H8 | 170.2° | 71.5° |
C3 | C2 | H7 | H6 | 121.6° | 122.3° |
C3 | C2 | C1 | H4 | 117.6° | 118.9° |
C3 | C2 | C1 | H5 | 121.2° | 118.8° |
N | C3 | C4 | H2 | 121.8° | 123.8° |
N | C3 | C4 | N1 | 59.9° | 63.6° |
C3 | N | C | C5 | 76.3° | 70.9° |
C3 | N | C16 | C17 | 162.9° | 113.9° |
C3 | N | C16 | C23 | 26.1° | 65.9° |
C3 | N | C | H1 | 162.6° | 165.0° |
N | C3 | C4 | H9 | 179.8° | 56.2° |
N | C3 | C4 | H8 | 60.3° | 176.5° |
N | C3 | C2 | H7 | 146.7° | 92.6° |
N | C3 | C2 | H6 | 92.2° | 145.1° |
C3 | C4 | N1 | H9 | 120.3° | 119.9° |
C3 | C4 | N1 | H8 | 120.3° | 119.9° |
C3 | C4 | N1 | C5 | 48.6° | 55.3° |
C3 | C4 | N1 | C6 | 177.8° | 179.8° |
C4 | C3 | N | C16 | 135.8° | 170.2° |
C3 | C4 | H9 | H8 | 119.2° | 120.4° |
C4 | C3 | C2 | H7 | 35.7° | 153.9° |
C4 | C3 | C2 | H6 | 156.8° | 31.6° |
C4 | N1 | C5 | C6 | 134.9° | 124.4° |
C4 | N1 | C5 | C | 49.7° | 55.3° |
C4 | N1 | C6 | C7 | 23.5° | 64.8° |
C4 | N1 | C6 | C9 | 158.1° | 115.1° |
C4 | N1 | C5 | H11 | 169.8° | 175.2° |
C4 | N1 | C5 | H10 | 70.5° | 64.6° |
N1 | C4 | H9 | H8 | 119.1° | 120.2° |
N1 | C4 | C3 | H2 | 178.3° | 172.6° |
N1 | C5 | C | H11 | 120.1° | 119.8° |
N1 | C5 | C | H10 | 120.1° | 119.9° |
C5 | N1 | C6 | C7 | 110.1° | 60.0° |
C5 | N1 | C6 | C9 | 68.3° | 120.1° |
N1 | C5 | H11 | H10 | 119.5° | 120.2° |
N1 | C5 | C | H1 | 176.5° | 171.9° |
C5 | N1 | C4 | H9 | 168.9° | 64.5° |
C5 | N1 | C4 | H8 | 71.7° | 175.3° |
C | C5 | N1 | C6 | 175.5° | 179.8° |
C5 | C | N | C16 | 130.3° | 170.2° |
C | C5 | H11 | H10 | 119.6° | 120.3° |
C5 | C | C1 | H4 | 32.5° | 31.6° |
C5 | C | C1 | H5 | 153.7° | 153.9° |
N1 | C6 | C7 | C9 | 178.5° | 179.9° |
N1 | C6 | C7 | C8 | 177.9° | 180.0° |
N1 | C6 | C9 | N3 | 179.3° | 179.7° |
N1 | C6 | C9 | N4 | 0.1° | 0.1° |
N1 | C6 | C7 | H12 | 2.1° | 0.1° |
C6 | N1 | C5 | H11 | 55.3° | 60.4° |
C6 | N1 | C5 | H10 | 64.4° | 59.8° |
C6 | N1 | C4 | H9 | 57.5° | 59.9° |
C6 | N1 | C4 | H8 | 61.9° | 60.3° |
C6 | C7 | C8 | H12 | 180.0° | 180.0° |
C6 | C7 | C8 | N2 | 2.0° | 0.3° |
C7 | C6 | C9 | N3 | 0.8° | 0.2° |
C7 | C6 | C9 | N4 | 178.5° | 180.0° |
C6 | C7 | C8 | C10 | 175.4° | 180.0° |
C7 | C8 | N2 | C10 | 173.8° | 179.7° |
C7 | C8 | N2 | N3 | 2.0° | 0.2° |
C8 | C7 | C6 | C9 | 0.6° | 0.1° |
C7 | C8 | C10 | C11 | 176.8° | 180.0° |
C7 | C8 | C10 | C15 | 4.6° | 0.3° |
C8 | N2 | N3 | C9 | 0.5° | 0.0° |
N2 | C8 | C10 | C11 | 3.1° | 0.3° |
N2 | C8 | C10 | C15 | 169.1° | 180.0° |
N2 | C8 | C7 | H12 | 178.0° | 179.8° |
N2 | N3 | C9 | C6 | 0.9° | 0.2° |
N2 | N3 | C9 | N4 | 178.5° | 180.0° |
N3 | N2 | C8 | C10 | 175.7° | 179.9° |
N3 | C9 | C6 | N4 | 179.3° | 179.8° |
N3 | C9 | N4 | H14 | 0.0° | 0.0° |
N3 | C9 | N4 | H13 | 120.0° | 180.0° |
C9 | C6 | C7 | H12 | 179.4° | 180.0° |
C6 | C9 | N4 | H14 | 179.4° | 179.8° |
C6 | C9 | N4 | H13 | 59.4° | 0.2° |
C9 | N4 | H14 | H13 | 120.0° | 180.0° |
C8 | C10 | C11 | C15 | 172.3° | 179.7° |
C8 | C10 | C11 | O | 8.2° | 0.0° |
C8 | C10 | C11 | C12 | 176.0° | 179.7° |
C8 | C10 | C15 | C14 | 177.6° | 179.7° |
C8 | C10 | C15 | H19 | 2.4° | 0.1° |
C10 | C8 | C7 | H12 | 4.6° | 0.1° |
C10 | C11 | O | C12 | 176.0° | 179.7° |
C10 | C11 | C12 | C13 | 1.9° | 0.3° |
C11 | C10 | C15 | C14 | 5.1° | 0.6° |
C10 | C11 | O | H15 | 180.0° | 90.3° |
C10 | C11 | C12 | H16 | 178.1° | 179.8° |
C11 | C10 | C15 | H19 | 174.9° | 179.7° |
O | C11 | C12 | C13 | 178.0° | 180.0° |
O | C11 | C10 | C15 | 179.5° | 179.7° |
O | C11 | C12 | H16 | 2.0° | 0.1° |
C11 | C12 | C13 | H16 | 180.0° | 179.9° |
C11 | C12 | C13 | C14 | 1.4° | 0.0° |
C12 | C11 | C10 | C15 | 3.7° | 0.5° |
C12 | C11 | O | H15 | 4.0° | 90.0° |
C11 | C12 | C13 | H17 | 178.6° | 179.9° |
C12 | C13 | C14 | H17 | 180.0° | 179.9° |
C12 | C13 | C14 | C15 | 2.8° | 0.0° |
C12 | C13 | C14 | H18 | 177.2° | 180.0° |
C13 | C14 | C15 | H18 | 180.0° | 180.0° |
C13 | C14 | C15 | C10 | 4.7° | 0.3° |
C14 | C13 | C12 | H16 | 178.6° | 179.9° |
C13 | C14 | C15 | H19 | 175.3° | 179.9° |
C14 | C15 | C10 | H19 | 180.0° | 179.8° |
C15 | C14 | C13 | H17 | 177.2° | 179.9° |
C10 | C15 | C14 | H18 | 175.3° | 179.8° |
N | C16 | C17 | C23 | 171.3° | 179.8° |
N | C16 | C17 | C18 | 175.5° | 179.8° |
N | C16 | C23 | C19 | 174.8° | 180.0° |
C16 | N | C | H1 | 9.2° | 46.1° |
C16 | N | C3 | H2 | 14.4° | 46.5° |
N | C16 | C23 | H29 | 5.2° | 0.0° |
N | C16 | C17 | H20 | 4.5° | 0.1° |
C16 | C17 | C18 | H20 | 180.0° | 179.9° |
C16 | C17 | C18 | N5 | 2.5° | 0.4° |
C17 | C16 | C23 | C19 | 3.5° | 0.2° |
C17 | C16 | C23 | H29 | 176.5° | 179.8° |
C16 | C17 | C18 | H21 | 177.5° | 179.8° |
C17 | C18 | N5 | H21 | 180.0° | 179.8° |
C17 | C18 | N5 | C19 | 0.2° | 0.2° |
C18 | C17 | C16 | C23 | 4.2° | 0.4° |
C18 | N5 | C19 | O1 | 179.7° | 180.0° |
C18 | N5 | C19 | C23 | 1.0° | 0.1° |
N5 | C18 | C17 | H20 | 177.5° | 179.7° |
N5 | C19 | O1 | C23 | 179.4° | 179.9° |
N5 | C19 | O1 | C20 | 73.7° | 0.0° |
N5 | C19 | C23 | C16 | 0.9° | 0.1° |
N5 | C19 | C23 | H29 | 179.1° | 179.9° |
C19 | N5 | C18 | H21 | 179.9° | 180.0° |
C19 | O1 | C20 | C21 | 128.5° | 180.0° |
O1 | C19 | C23 | C16 | 178.5° | 180.0° |
O1 | C19 | C23 | H29 | 1.5° | 0.0° |
C19 | O1 | C20 | H22 | 111.4° | 60.0° |
C19 | O1 | C20 | H23 | 8.5° | 60.0° |
O1 | C20 | C21 | H22 | 120.1° | 119.9° |
O1 | C20 | C21 | H23 | 120.1° | 120.0° |
O1 | C20 | C21 | O2 | 84.6° | 64.9° |
C20 | O1 | C19 | C23 | 106.8° | 180.0° |
O1 | C20 | H22 | H23 | 119.8° | 120.0° |
O1 | C20 | C21 | H25 | 36.2° | 175.0° |
O1 | C20 | C21 | H24 | 154.7° | 55.0° |
C20 | C21 | O2 | H25 | 120.7° | 120.0° |
C20 | C21 | O2 | H24 | 120.7° | 120.0° |
C20 | C21 | O2 | C22 | 126.5° | 180.0° |
C21 | C20 | H22 | H23 | 119.8° | 120.1° |
C20 | C21 | H25 | H24 | 117.8° | 120.0° |
O2 | C21 | C20 | H22 | 155.4° | 55.0° |
O2 | C21 | C20 | H23 | 35.5° | 175.1° |
O2 | C21 | H25 | H24 | 117.8° | 120.0° |
C21 | O2 | C22 | H26 | 180.0° | 60.1° |
C21 | O2 | C22 | H28 | 60.0° | 180.0° |
C21 | O2 | C22 | H27 | 60.0° | 60.0° |
C22 | O2 | C21 | H25 | 112.7° | 60.0° |
C22 | O2 | C21 | H24 | 5.8° | 60.0° |
O2 | C22 | H26 | H28 | 120.0° | 120.0° |
O2 | C22 | H26 | H27 | 120.0° | 120.1° |
O2 | C22 | H28 | H27 | 120.0° | 120.0° |
C19 | C23 | C16 | H29 | 180.0° | 180.0° |
C23 | C16 | C17 | H20 | 175.7° | 179.7° |
H16 | C12 | C13 | H17 | 1.4° | 0.0° |
H17 | C13 | C14 | H18 | 2.8° | 0.1° |
H18 | C14 | C15 | H19 | 4.7° | 0.0° |
H11 | C5 | C | H1 | 56.3° | 52.0° |
H10 | C5 | C | H1 | 63.4° | 68.2° |
H1 | C | C1 | H4 | 95.9° | 92.6° |
H1 | C | C1 | H5 | 25.2° | 29.7° |
H9 | C4 | C3 | H2 | 58.0° | 67.6° |
H8 | C4 | C3 | H2 | 61.4° | 52.7° |
H2 | C3 | C2 | H7 | 92.6° | 29.8° |
H2 | C3 | C2 | H6 | 28.5° | 92.6° |
H7 | C2 | C1 | H4 | 1.8° | 122.6° |
H7 | C2 | C1 | H5 | 119.3° | 0.3° |
H6 | C2 | C1 | H4 | 123.0° | 0.2° |
H6 | C2 | C1 | H5 | 1.8° | 122.5° |
H21 | C18 | C17 | H20 | 2.5° | 0.1° |
H22 | C20 | C21 | H25 | 83.9° | 65.0° |
H22 | C20 | C21 | H24 | 34.6° | 175.0° |
H23 | C20 | C21 | H25 | 156.3° | 55.0° |
H23 | C20 | C21 | H24 | 85.2° | 65.0° |
H26 | C22 | H28 | H27 | 120.0° | 119.9° |