6V3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C13 | C12 | sing | 1.53Å | 1.50Å | |
C13 | N14 | sing | 1.47Å | 1.45Å | |
C12 | N11 | sing | 1.47Å | 1.47Å | |
C17 | N14 | sing | 1.47Å | 1.46Å | |
N14 | C15 | sing | 1.47Å | 1.46Å | |
C15 | C16 | sing | 1.53Å | 1.52Å | |
C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
C3 | C4 | doub | 1.36Å | 1.36Å | Aromatic |
N11 | C16 | sing | 1.47Å | 1.47Å | |
N11 | C1 | sing | 1.39Å | 1.42Å | |
C1 | C5 | sing | 1.41Å | 1.43Å | Aromatic |
C4 | C6 | sing | 1.41Å | 1.42Å | Aromatic |
C5 | C6 | sing | 1.42Å | 1.43Å | Aromatic |
C5 | C10 | doub | 1.40Å | 1.42Å | Aromatic |
C6 | C7 | doub | 1.40Å | 1.41Å | Aromatic |
C36 | C37 | doub | 1.34Å | 1.36Å | Aromatic |
C36 | N35 | sing | 1.37Å | 1.38Å | Aromatic |
C10 | C9 | sing | 1.36Å | 1.36Å | Aromatic |
C37 | C33 | sing | 1.46Å | 1.43Å | Aromatic |
N35 | C34 | sing | 1.37Å | 1.36Å | Aromatic |
C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
C26 | C25 | sing | 1.39Å | 1.38Å | Aromatic |
C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
C27 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
O21 | C19 | doub | 1.22Å | 1.23Å | |
C33 | C34 | doub | 1.41Å | 1.39Å | Aromatic |
C33 | C29 | sing | 1.40Å | 1.41Å | Aromatic |
C9 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
C34 | N32 | sing | 1.33Å | 1.35Å | Aromatic |
C8 | N18 | sing | 1.40Å | 1.41Å | |
O28 | C29 | sing | 1.36Å | 1.39Å | |
O28 | C25 | sing | 1.36Å | 1.39Å | |
C29 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
C19 | N18 | sing | 1.35Å | 1.37Å | |
C19 | N20 | sing | 1.35Å | 1.37Å | |
C25 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
N32 | C31 | doub | 1.32Å | 1.34Å | Aromatic |
C22 | N20 | sing | 1.40Å | 1.42Å | |
C22 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
C30 | C31 | sing | 1.39Å | 1.38Å | Aromatic |
C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
C2 | H1 | sing | 1.08Å | 1.08Å | |
C3 | H2 | sing | 1.08Å | 1.08Å | |
C4 | H3 | sing | 1.08Å | 1.08Å | |
C7 | H4 | sing | 1.08Å | 1.08Å | |
C9 | H5 | sing | 1.08Å | 1.08Å | |
C10 | H6 | sing | 1.08Å | 1.08Å | |
C12 | H7 | sing | 1.09Å | 1.10Å | |
C12 | H8 | sing | 1.09Å | 1.10Å | |
C13 | 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 | |
C16 | H14 | sing | 1.09Å | 1.10Å | |
C16 | H15 | sing | 1.09Å | 1.10Å | |
C17 | H16 | sing | 1.09Å | 1.10Å | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
C17 | H18 | sing | 1.09Å | 1.10Å | |
N18 | H19 | sing | 0.97Å | 1.00Å | |
N20 | H20 | sing | 0.97Å | 1.00Å | |
C23 | H21 | sing | 1.08Å | 1.08Å | |
C24 | H22 | sing | 1.08Å | 1.08Å | |
C26 | H23 | sing | 1.08Å | 1.08Å | |
C27 | H24 | sing | 1.08Å | 1.08Å | |
C30 | H25 | sing | 1.08Å | 1.08Å | |
C31 | H26 | sing | 1.08Å | 1.08Å | |
N35 | H27 | sing | 0.97Å | 1.00Å | |
C36 | H28 | sing | 1.08Å | 1.08Å | |
C37 | H29 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C12 | C13 | N14 | 111.1° | 109.4° |
C13 | C12 | N11 | 113.5° | 109.4° |
C13 | C12 | H7 | 108.4° | 109.5° |
C13 | C12 | H8 | 108.4° | 109.5° |
C12 | C13 | H9 | 109.1° | 109.4° |
C12 | C13 | H10 | 109.0° | 109.5° |
C13 | N14 | C17 | 110.4° | 111.0° |
C13 | N14 | C15 | 109.1° | 110.9° |
N14 | C13 | H9 | 109.1° | 109.5° |
N14 | C13 | H10 | 109.1° | 109.5° |
C12 | N11 | C16 | 121.4° | 110.9° |
C12 | N11 | C1 | 113.5° | 111.0° |
N11 | C12 | H7 | 108.5° | 109.5° |
N11 | C12 | H8 | 108.5° | 109.5° |
C17 | N14 | C15 | 110.5° | 111.0° |
N14 | C17 | H16 | 109.5° | 109.5° |
N14 | C17 | H17 | 109.5° | 109.5° |
N14 | C17 | H18 | 109.5° | 109.4° |
N14 | C15 | C16 | 111.3° | 109.4° |
N14 | C15 | H11 | 109.0° | 109.5° |
N14 | C15 | H12 | 109.0° | 109.5° |
C15 | C16 | N11 | 113.9° | 109.4° |
C16 | C15 | H11 | 109.0° | 109.5° |
C16 | C15 | H12 | 109.0° | 109.5° |
C15 | C16 | H14 | 108.4° | 109.4° |
C15 | C16 | H15 | 108.4° | 109.5° |
C3 | C2 | C1 | 120.9° | 120.7° |
C2 | C3 | C4 | 120.9° | 121.1° |
C3 | C2 | H1 | 119.5° | 119.6° |
C2 | C3 | H2 | 119.6° | 119.5° |
C2 | C1 | N11 | 122.1° | 120.2° |
C2 | C1 | C5 | 119.8° | 119.5° |
C1 | C2 | H1 | 119.5° | 119.7° |
C3 | C4 | C6 | 120.8° | 120.0° |
C4 | C3 | H2 | 119.5° | 119.4° |
C3 | C4 | H3 | 119.6° | 120.0° |
C16 | N11 | C1 | 115.6° | 111.0° |
N11 | C16 | H14 | 108.3° | 109.5° |
N11 | C16 | H15 | 108.3° | 109.5° |
N11 | C1 | C5 | 118.0° | 120.3° |
C1 | C5 | C6 | 118.2° | 119.3° |
C1 | C5 | C10 | 124.1° | 121.1° |
C4 | C6 | C5 | 119.4° | 119.5° |
C4 | C6 | C7 | 121.4° | 121.1° |
C6 | C4 | H3 | 119.6° | 120.0° |
C6 | C5 | C10 | 117.7° | 119.6° |
C5 | C6 | C7 | 119.2° | 119.4° |
C5 | C10 | C9 | 121.2° | 119.9° |
C5 | C10 | H6 | 119.4° | 120.1° |
C6 | C7 | C8 | 120.8° | 119.5° |
C6 | C7 | H4 | 119.6° | 120.2° |
C37 | C36 | N35 | 109.9° | 109.8° |
C36 | C37 | C33 | 106.4° | 106.8° |
C37 | C36 | H28 | 125.0° | 125.1° |
C36 | C37 | H29 | 126.8° | 126.6° |
C36 | N35 | C34 | 108.6° | 110.1° |
C36 | N35 | H27 | 125.7° | 125.0° |
N35 | C36 | H28 | 125.0° | 125.1° |
C10 | C9 | C8 | 121.1° | 120.9° |
C10 | C9 | H5 | 119.5° | 119.6° |
C9 | C10 | H6 | 119.4° | 120.0° |
C37 | C33 | C34 | 107.1° | 106.3° |
C37 | C33 | C29 | 135.8° | 134.3° |
C33 | C37 | H29 | 126.8° | 126.6° |
N35 | C34 | C33 | 108.0° | 107.0° |
N35 | C34 | N32 | 127.9° | 133.2° |
C34 | N35 | H27 | 125.7° | 124.9° |
C27 | C26 | C25 | 119.8° | 120.0° |
C26 | C27 | C22 | 120.4° | 120.0° |
C27 | C26 | H23 | 120.1° | 119.9° |
C26 | C27 | H24 | 119.8° | 120.1° |
C26 | C25 | O28 | 119.1° | 120.0° |
C26 | C25 | C24 | 120.2° | 120.0° |
C25 | C26 | H23 | 120.1° | 120.1° |
C7 | C8 | C9 | 119.9° | 120.7° |
C7 | C8 | N18 | 119.9° | 119.7° |
C8 | C7 | H4 | 119.6° | 120.2° |
C27 | C22 | N20 | 119.9° | 120.0° |
C27 | C22 | C23 | 119.3° | 120.0° |
C22 | C27 | H24 | 119.8° | 120.0° |
O21 | C19 | N18 | 122.8° | 120.0° |
O21 | C19 | N20 | 122.7° | 120.0° |
C34 | C33 | C29 | 117.1° | 119.5° |
C33 | C34 | N32 | 124.1° | 119.8° |
C33 | C29 | O28 | 117.1° | 121.0° |
C33 | C29 | C30 | 119.9° | 117.9° |
C9 | C8 | N18 | 120.2° | 119.7° |
C8 | C9 | H5 | 119.4° | 119.5° |
C34 | N32 | C31 | 116.9° | 121.8° |
C8 | N18 | C19 | 124.1° | 120.0° |
C8 | N18 | H19 | 117.9° | 120.0° |
C29 | O28 | C25 | 118.9° | 118.0° |
O28 | C29 | C30 | 123.0° | 121.1° |
O28 | C25 | C24 | 120.6° | 120.0° |
C29 | C30 | C31 | 117.7° | 119.3° |
C29 | C30 | H25 | 121.2° | 120.3° |
N18 | C19 | N20 | 114.5° | 120.0° |
C19 | N18 | H19 | 118.0° | 120.0° |
C19 | N20 | C22 | 124.7° | 120.0° |
C19 | N20 | H20 | 117.6° | 120.0° |
C25 | C24 | C23 | 119.8° | 120.0° |
C25 | C24 | H22 | 120.1° | 120.0° |
N32 | C31 | C30 | 124.3° | 121.6° |
N32 | C31 | H26 | 117.8° | 119.2° |
N20 | C22 | C23 | 120.8° | 120.0° |
C22 | N20 | H20 | 117.6° | 120.0° |
C22 | C23 | C24 | 120.4° | 120.0° |
C22 | C23 | H21 | 119.8° | 120.0° |
C31 | C30 | H25 | 121.2° | 120.3° |
C30 | C31 | H26 | 117.8° | 119.2° |
C24 | C23 | H21 | 119.8° | 120.0° |
C23 | C24 | H22 | 120.1° | 120.0° |
H7 | C12 | H8 | 109.4° | 109.5° |
H9 | C13 | H10 | 109.4° | 109.6° |
H11 | C15 | H12 | 109.5° | 109.5° |
H14 | C16 | H15 | 109.5° | 109.5° |
H16 | C17 | H17 | 109.5° | 109.5° |
H16 | C17 | H18 | 109.4° | 109.4° |
H17 | C17 | H18 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C12 | C13 | N14 | H9 | 120.3° | 119.9° |
C12 | C13 | N14 | H10 | 120.2° | 119.9° |
C13 | C12 | N11 | H7 | 120.6° | 119.9° |
C13 | C12 | N11 | H8 | 120.6° | 120.1° |
C12 | C13 | N14 | C17 | 171.5° | 64.5° |
C12 | C13 | N14 | C15 | 66.8° | 59.3° |
C13 | C12 | N11 | C16 | 19.9° | 59.3° |
C13 | C12 | N11 | C1 | 164.7° | 176.8° |
C13 | C12 | H7 | H8 | 118.1° | 120.1° |
C12 | C13 | H9 | H10 | 119.2° | 120.0° |
N14 | C13 | C12 | N11 | 24.9° | 58.4° |
C13 | N14 | C17 | C15 | 120.8° | 123.8° |
C13 | N14 | C15 | C16 | 62.5° | 59.3° |
N14 | C13 | C12 | H7 | 145.6° | 61.5° |
N14 | C13 | C12 | H8 | 95.7° | 178.4° |
N14 | C13 | H9 | H10 | 119.3° | 120.1° |
C13 | N14 | C15 | H11 | 177.3° | 60.6° |
C13 | N14 | C15 | H12 | 57.8° | 179.3° |
C13 | N14 | C17 | H16 | 180.0° | 59.9° |
C13 | N14 | C17 | H17 | 60.0° | 180.0° |
C13 | N14 | C17 | H18 | 60.0° | 60.0° |
C12 | N11 | C16 | C15 | 23.6° | 59.3° |
C12 | N11 | C1 | C2 | 96.6° | 59.7° |
C12 | N11 | C16 | C1 | 144.2° | 123.9° |
C12 | N11 | C1 | C5 | 81.2° | 119.9° |
N11 | C12 | H7 | H8 | 118.2° | 120.1° |
N11 | C12 | C13 | H9 | 145.2° | 61.6° |
N11 | C12 | C13 | H10 | 95.3° | 178.3° |
C12 | N11 | C16 | H14 | 144.3° | 179.2° |
C12 | N11 | C16 | H15 | 97.0° | 60.7° |
C17 | N14 | C15 | C16 | 176.0° | 64.5° |
C17 | N14 | C13 | H9 | 51.3° | 175.6° |
C17 | N14 | C13 | H10 | 68.2° | 55.4° |
C17 | N14 | C15 | H11 | 55.7° | 175.5° |
C17 | N14 | C15 | H12 | 63.7° | 55.4° |
N14 | C17 | H16 | H17 | 120.0° | 120.1° |
N14 | C17 | H16 | H18 | 120.0° | 119.9° |
N14 | C17 | H17 | H18 | 120.0° | 119.9° |
N14 | C15 | C16 | H11 | 120.3° | 120.0° |
N14 | C15 | C16 | H12 | 120.3° | 120.0° |
N14 | C15 | C16 | N11 | 17.5° | 58.4° |
C15 | N14 | C13 | H9 | 172.9° | 60.6° |
C15 | N14 | C13 | H10 | 53.4° | 179.2° |
N14 | C15 | H11 | H12 | 119.1° | 120.1° |
N14 | C15 | C16 | H14 | 103.1° | 178.3° |
N14 | C15 | C16 | H15 | 138.2° | 61.6° |
C15 | N14 | C17 | H16 | 59.2° | 63.8° |
C15 | N14 | C17 | H17 | 179.2° | 56.2° |
C15 | N14 | C17 | H18 | 60.8° | 176.2° |
C15 | C16 | N11 | H14 | 120.7° | 119.9° |
C15 | C16 | N11 | H15 | 120.7° | 120.0° |
C15 | C16 | N11 | C1 | 167.8° | 176.8° |
C16 | C15 | H11 | H12 | 119.2° | 120.0° |
C15 | C16 | H14 | H15 | 118.0° | 120.1° |
C3 | C2 | C1 | H1 | 180.0° | 179.9° |
C2 | C3 | C4 | H2 | 180.0° | 179.9° |
C3 | C2 | C1 | N11 | 178.8° | 179.7° |
C3 | C2 | C1 | C5 | 0.9° | 0.0° |
C2 | C3 | C4 | C6 | 0.5° | 0.0° |
C2 | C3 | C4 | H3 | 179.5° | 179.9° |
C1 | C2 | C3 | C4 | 0.8° | 0.0° |
C2 | C1 | N11 | C16 | 50.4° | 64.1° |
C2 | C1 | N11 | C5 | 177.9° | 179.6° |
C2 | C1 | C5 | C6 | 0.8° | 0.0° |
C2 | C1 | C5 | C10 | 179.4° | 180.0° |
C1 | C2 | C3 | H2 | 179.2° | 179.9° |
C3 | C4 | C6 | H3 | 180.0° | 179.9° |
C3 | C4 | C6 | C5 | 0.3° | 0.0° |
C3 | C4 | C6 | C7 | 180.0° | 179.9° |
C4 | C3 | C2 | H1 | 179.2° | 179.9° |
C16 | N11 | C1 | C5 | 131.7° | 116.2° |
C16 | N11 | C12 | H7 | 100.7° | 60.6° |
C16 | N11 | C12 | H8 | 140.5° | 179.3° |
N11 | C16 | C15 | H11 | 137.8° | 61.6° |
N11 | C16 | C15 | H12 | 102.7° | 178.4° |
N11 | C16 | H14 | H15 | 117.9° | 120.1° |
N11 | C1 | C5 | C6 | 178.7° | 179.7° |
N11 | C1 | C5 | C10 | 1.5° | 0.3° |
N11 | C1 | C2 | H1 | 1.2° | 0.4° |
C1 | N11 | C12 | H7 | 44.1° | 63.3° |
C1 | N11 | C12 | H8 | 74.7° | 56.8° |
C1 | N11 | C16 | H14 | 71.5° | 56.9° |
C1 | N11 | C16 | H15 | 47.2° | 63.2° |
C1 | C5 | C6 | C4 | 0.4° | 0.0° |
C1 | C5 | C6 | C10 | 179.8° | 180.0° |
C1 | C5 | C6 | C7 | 179.9° | 179.9° |
C1 | C5 | C10 | C9 | 179.8° | 179.9° |
C5 | C1 | C2 | H1 | 179.0° | 180.0° |
C1 | C5 | C10 | H6 | 0.2° | 0.0° |
C4 | C6 | C5 | C7 | 179.7° | 179.9° |
C4 | C6 | C5 | C10 | 179.7° | 180.0° |
C4 | C6 | C7 | C8 | 179.8° | 180.0° |
C6 | C4 | C3 | H2 | 179.6° | 180.0° |
C4 | C6 | C7 | H4 | 0.2° | 0.0° |
C6 | C5 | C10 | C9 | 0.1° | 0.0° |
C5 | C6 | C7 | C8 | 0.5° | 0.1° |
C5 | C6 | C4 | H3 | 179.7° | 179.9° |
C5 | C6 | C7 | H4 | 179.5° | 180.0° |
C6 | C5 | C10 | H6 | 179.9° | 180.0° |
C10 | C5 | C6 | C7 | 0.0° | 0.0° |
C5 | C10 | C9 | H6 | 180.0° | 180.0° |
C5 | C10 | C9 | C8 | 0.3° | 0.0° |
C5 | C10 | C9 | H5 | 179.7° | 179.9° |
C6 | C7 | C8 | H4 | 180.0° | 180.0° |
C6 | C7 | C8 | C9 | 0.9° | 0.0° |
C6 | C7 | C8 | N18 | 178.3° | 179.9° |
C7 | C6 | C4 | H3 | 0.0° | 0.0° |
C37 | C36 | N35 | H28 | 180.0° | 179.1° |
C36 | C37 | C33 | H29 | 180.0° | 179.1° |
C37 | C36 | N35 | C34 | 0.0° | 0.6° |
C36 | C37 | C33 | C34 | 0.0° | 0.9° |
C36 | C37 | C33 | C29 | 179.8° | 179.8° |
C37 | C36 | N35 | H27 | 180.0° | 179.4° |
N35 | C36 | C37 | C33 | 0.0° | 0.9° |
C36 | N35 | C34 | H27 | 180.0° | 180.0° |
C36 | N35 | C34 | C33 | 0.0° | 0.0° |
C36 | N35 | C34 | N32 | 179.9° | 179.4° |
N35 | C36 | C37 | H29 | 180.0° | 180.0° |
C10 | C9 | C8 | C7 | 0.9° | 0.0° |
C10 | C9 | C8 | H5 | 180.0° | 179.9° |
C10 | C9 | C8 | N18 | 178.2° | 180.0° |
C37 | C33 | C34 | N35 | 0.0° | 0.5° |
C37 | C33 | C34 | C29 | 179.9° | 179.5° |
C37 | C33 | C34 | N32 | 179.9° | 180.0° |
C37 | C33 | C29 | O28 | 0.0° | 0.4° |
C37 | C33 | C29 | C30 | 180.0° | 179.8° |
C33 | C37 | C36 | H28 | 180.0° | 180.0° |
N35 | C34 | C33 | N32 | 179.9° | 179.5° |
N35 | C34 | C33 | C29 | 179.8° | 180.0° |
N35 | C34 | N32 | C31 | 179.8° | 179.6° |
C34 | N35 | C36 | H28 | 180.0° | 179.7° |
C27 | C26 | C25 | H23 | 180.0° | 179.5° |
C26 | C27 | C22 | H24 | 180.0° | 179.6° |
C27 | C26 | C25 | O28 | 179.4° | 179.8° |
C27 | C26 | C25 | C24 | 0.8° | 0.2° |
C26 | C27 | C22 | N20 | 179.1° | 179.8° |
C26 | C27 | C22 | C23 | 0.4° | 0.5° |
C25 | C26 | C27 | C22 | 0.1° | 0.5° |
C26 | C25 | O28 | C29 | 83.5° | 101.7° |
C26 | C25 | O28 | C24 | 178.6° | 180.0° |
C26 | C25 | C24 | C23 | 0.9° | 0.0° |
C26 | C25 | C24 | H22 | 179.1° | 180.0° |
C25 | C26 | C27 | H24 | 179.9° | 179.9° |
C7 | C8 | C9 | N18 | 177.4° | 180.0° |
C7 | C8 | N18 | C19 | 47.1° | 35.5° |
C7 | C8 | C9 | H5 | 179.1° | 179.9° |
C7 | C8 | N18 | H19 | 132.9° | 144.5° |
C27 | C22 | N20 | C19 | 43.6° | 147.7° |
C27 | C22 | N20 | C23 | 178.6° | 179.7° |
C27 | C22 | C23 | C24 | 0.4° | 0.3° |
C27 | C22 | N20 | H20 | 136.4° | 32.4° |
C27 | C22 | C23 | H21 | 179.7° | 179.8° |
C22 | C27 | C26 | H23 | 179.8° | 180.0° |
O21 | C19 | N18 | C8 | 27.0° | 9.3° |
O21 | C19 | N18 | N20 | 178.7° | 180.0° |
O21 | C19 | N20 | C22 | 8.1° | 8.7° |
O21 | C19 | N18 | H19 | 153.0° | 170.8° |
O21 | C19 | N20 | H20 | 171.9° | 171.2° |
C34 | C33 | C29 | O28 | 179.8° | 179.7° |
C34 | C33 | C29 | C30 | 0.2° | 0.5° |
C33 | C34 | N32 | C31 | 0.0° | 0.2° |
C33 | C34 | N35 | H27 | 180.0° | 180.0° |
C34 | C33 | C37 | H29 | 180.0° | 180.0° |
C29 | C33 | C34 | N32 | 0.0° | 0.5° |
C33 | C29 | O28 | C30 | 180.0° | 179.8° |
C33 | C29 | O28 | C25 | 161.5° | 173.3° |
C33 | C29 | C30 | C31 | 0.4° | 0.2° |
C33 | C29 | C30 | H25 | 179.6° | 179.8° |
C29 | C33 | C37 | H29 | 0.2° | 0.7° |
C9 | C8 | N18 | C19 | 130.3° | 144.5° |
C9 | C8 | C7 | H4 | 179.0° | 180.0° |
C8 | C9 | C10 | H6 | 179.6° | 180.0° |
C9 | C8 | N18 | H19 | 49.7° | 35.4° |
C34 | N32 | C31 | C30 | 0.2° | 0.0° |
C34 | N32 | C31 | H26 | 179.8° | 180.0° |
N32 | C34 | N35 | H27 | 0.1° | 0.6° |
C8 | N18 | C19 | H19 | 180.0° | 180.0° |
C8 | N18 | C19 | N20 | 151.7° | 170.8° |
N18 | C8 | C7 | H4 | 1.6° | 0.0° |
N18 | C8 | C9 | H5 | 1.8° | 0.1° |
C29 | O28 | C25 | C24 | 95.1° | 78.3° |
O28 | C29 | C30 | C31 | 179.6° | 180.0° |
O28 | C29 | C30 | H25 | 0.4° | 0.0° |
C25 | O28 | C29 | C30 | 18.6° | 6.9° |
O28 | C25 | C24 | C23 | 179.4° | 180.0° |
O28 | C25 | C24 | H22 | 0.6° | 0.0° |
O28 | C25 | C26 | H23 | 0.6° | 0.3° |
C29 | C30 | C31 | N32 | 0.4° | 0.0° |
C29 | C30 | C31 | H25 | 180.0° | 180.0° |
C29 | C30 | C31 | H26 | 179.6° | 180.0° |
N18 | C19 | N20 | C22 | 173.2° | 171.3° |
N18 | C19 | N20 | H20 | 6.8° | 8.8° |
C19 | N20 | C22 | H20 | 180.0° | 179.9° |
C19 | N20 | C22 | C23 | 135.0° | 32.0° |
N20 | C19 | N18 | H19 | 28.3° | 9.2° |
C25 | C24 | C23 | C22 | 0.3° | 0.0° |
C25 | C24 | C23 | H22 | 180.0° | 180.0° |
C25 | C24 | C23 | H21 | 179.7° | 179.9° |
C24 | C25 | C26 | H23 | 179.2° | 179.7° |
N32 | C31 | C30 | H26 | 180.0° | 180.0° |
N32 | C31 | C30 | H25 | 179.6° | 179.9° |
N20 | C22 | C23 | C24 | 179.0° | 180.0° |
N20 | C22 | C23 | H21 | 1.0° | 0.1° |
N20 | C22 | C27 | H24 | 0.9° | 0.2° |
C22 | C23 | C24 | H21 | 180.0° | 179.9° |
C23 | C22 | N20 | H20 | 45.0° | 147.9° |
C22 | C23 | C24 | H22 | 179.7° | 180.0° |
C23 | C22 | C27 | H24 | 179.6° | 179.9° |
H1 | C2 | C3 | H2 | 0.8° | 0.0° |
H2 | C3 | C4 | H3 | 0.4° | 0.0° |
H5 | C9 | C10 | H6 | 0.4° | 0.0° |
H7 | C12 | C13 | H9 | 94.2° | 178.5° |
H7 | C12 | C13 | H10 | 25.3° | 58.4° |
H8 | C12 | C13 | H9 | 24.6° | 58.4° |
H8 | C12 | C13 | H10 | 144.0° | 61.6° |
H11 | C15 | C16 | H14 | 17.1° | 58.4° |
H11 | C15 | C16 | H15 | 101.6° | 178.5° |
H12 | C15 | C16 | H14 | 136.6° | 61.7° |
H12 | C15 | C16 | H15 | 17.9° | 58.4° |
H16 | C17 | H17 | H18 | 119.9° | 120.0° |
H21 | C23 | C24 | H22 | 0.3° | 0.1° |
H23 | C26 | C27 | H24 | 0.2° | 0.4° |
H25 | C30 | C31 | H26 | 0.4° | 0.0° |
H27 | N35 | C36 | H28 | 0.0° | 0.3° |
H28 | C36 | C37 | H29 | 0.0° | 0.9° |