06H
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.51Å | 1.49Å | |
C22 | C3 | sing | 1.51Å | 1.52Å | |
C22 | C21 | sing | 1.52Å | 1.54Å | |
C2 | C3 | doub | 1.36Å | 1.40Å | Aromatic |
C2 | C5 | sing | 1.45Å | 1.43Å | Aromatic |
C13 | C14 | doub | 1.37Å | 1.40Å | Aromatic |
C13 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
C3 | N1 | sing | 1.37Å | 1.40Å | Aromatic |
C14 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
C5 | C6 | sing | 1.46Å | 1.46Å | |
C5 | C4 | doub | 1.39Å | 1.37Å | Aromatic |
O1 | C6 | doub | 1.21Å | 1.23Å | |
C6 | C7 | sing | 1.51Å | 1.53Å | |
N4 | C25 | sing | 1.35Å | 1.37Å | |
N1 | C4 | sing | 1.35Å | 1.39Å | Aromatic |
N1 | C12 | sing | 1.40Å | 1.42Å | Aromatic |
C4 | C9 | sing | 1.50Å | 1.50Å | |
C23 | N3 | sing | 1.47Å | 1.47Å | |
C12 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
C7 | C8 | sing | 1.52Å | 1.55Å | |
C21 | C20 | sing | 1.52Å | 1.55Å | |
C20 | N3 | sing | 1.49Å | 1.47Å | |
C9 | C8 | sing | 1.53Å | 1.56Å | |
C15 | C25 | sing | 1.47Å | 1.49Å | |
C15 | C16 | doub | 1.40Å | 1.42Å | Aromatic |
C25 | O3 | doub | 1.22Å | 1.23Å | |
N3 | C19 | sing | 1.38Å | 1.40Å | |
C17 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
C8 | C10 | sing | 1.53Å | 1.54Å | |
C8 | C11 | sing | 1.53Å | 1.54Å | |
C16 | N2 | sing | 1.40Å | 1.39Å | |
N2 | C18 | sing | 1.48Å | 1.47Å | |
C19 | O2 | doub | 1.21Å | 1.23Å | |
C19 | C18 | sing | 1.51Å | 1.54Å | |
C18 | C24 | sing | 1.53Å | 1.53Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
C7 | H4 | sing | 1.09Å | 1.10Å | |
C7 | H5 | sing | 1.09Å | 1.10Å | |
C9 | H6 | sing | 1.09Å | 1.10Å | |
C9 | H7 | sing | 1.10Å | 1.10Å | |
C10 | H8 | sing | 1.09Å | 1.10Å | |
C10 | H9 | sing | 1.09Å | 1.10Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C11 | H12 | sing | 1.09Å | 1.10Å | |
C11 | H13 | sing | 1.09Å | 1.10Å | |
C13 | H14 | sing | 1.07Å | 1.08Å | |
C14 | H15 | sing | 1.08Å | 1.08Å | |
C17 | H16 | sing | 1.08Å | 1.08Å | |
N2 | H17 | sing | 0.97Å | 1.00Å | |
C18 | H18 | sing | 1.09Å | 1.10Å | |
C20 | H19 | sing | 1.10Å | 1.10Å | |
C20 | H20 | sing | 1.09Å | 1.10Å | |
C21 | H21 | sing | 1.10Å | 1.10Å | |
C21 | H22 | sing | 1.10Å | 1.10Å | |
C22 | H23 | sing | 1.11Å | 1.10Å | |
C22 | H24 | sing | 1.07Å | 1.10Å | |
C23 | H25 | sing | 1.09Å | 1.10Å | |
C23 | H26 | sing | 1.09Å | 1.10Å | |
C23 | H27 | sing | 1.09Å | 1.10Å | |
C24 | H28 | sing | 1.09Å | 1.10Å | |
C24 | H29 | sing | 1.09Å | 1.10Å | |
C24 | H30 | sing | 1.09Å | 1.10Å | |
N4 | H31 | sing | 0.97Å | 1.00Å | |
N4 | H32 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | C2 | C3 | 126.3° | 127.3° |
C1 | C2 | C5 | 126.2° | 126.7° |
C2 | C1 | H1 | 109.5° | 109.5° |
C2 | C1 | H2 | 109.5° | 109.5° |
C2 | C1 | H3 | 109.5° | 109.5° |
C3 | C22 | C21 | 115.1° | 110.2° |
C22 | C3 | C2 | 128.1° | 121.4° |
C22 | C3 | N1 | 124.5° | 129.0° |
C3 | C22 | H23 | 107.6° | 107.0° |
C3 | C22 | H24 | 107.6° | 112.5° |
C22 | C21 | C20 | 114.1° | 112.8° |
C22 | C21 | H21 | 108.0° | 109.4° |
C22 | C21 | H22 | 107.9° | 109.0° |
C21 | C22 | H23 | 107.6° | 107.5° |
C21 | C22 | H24 | 107.6° | 113.2° |
C3 | C2 | C5 | 107.5° | 106.1° |
C2 | C3 | N1 | 107.3° | 109.5° |
C2 | C5 | C6 | 131.6° | 130.9° |
C2 | C5 | C4 | 107.8° | 106.6° |
C14 | C13 | C12 | 119.3° | 121.5° |
C13 | C14 | C15 | 120.9° | 120.5° |
C14 | C13 | H14 | 120.4° | 116.8° |
C13 | C14 | H15 | 119.5° | 119.6° |
C13 | C12 | N1 | 123.3° | 120.5° |
C13 | C12 | C17 | 119.7° | 117.7° |
C12 | C13 | H14 | 120.4° | 121.7° |
C3 | N1 | C4 | 108.7° | 109.4° |
C3 | N1 | C12 | 127.1° | 127.1° |
C14 | C15 | C25 | 118.9° | 119.6° |
C14 | C15 | C16 | 120.7° | 119.0° |
C15 | C14 | H15 | 119.5° | 119.8° |
C6 | C5 | C4 | 120.6° | 122.6° |
C5 | C6 | O1 | 120.0° | 122.1° |
C5 | C6 | C7 | 117.8° | 116.5° |
C5 | C4 | N1 | 108.7° | 108.0° |
C5 | C4 | C9 | 124.8° | 121.5° |
O1 | C6 | C7 | 120.8° | 121.5° |
C6 | C7 | C8 | 113.8° | 109.7° |
C6 | C7 | H4 | 108.0° | 109.3° |
C6 | C7 | H5 | 108.0° | 109.4° |
N4 | C25 | C15 | 116.7° | 120.0° |
N4 | C25 | O3 | 122.5° | 120.0° |
C25 | N4 | H31 | 120.0° | 120.0° |
C25 | N4 | H32 | 120.0° | 120.0° |
C4 | N1 | C12 | 124.2° | 123.5° |
N1 | C4 | C9 | 126.5° | 130.5° |
N1 | C12 | C17 | 117.0° | 121.8° |
C4 | C9 | C8 | 110.0° | 111.3° |
C4 | C9 | H6 | 109.3° | 110.0° |
C4 | C9 | H7 | 109.3° | 108.8° |
C23 | N3 | C20 | 116.4° | 123.4° |
C23 | N3 | C19 | 127.3° | 124.3° |
N3 | C23 | H25 | 109.5° | 109.5° |
N3 | C23 | H26 | 109.5° | 109.5° |
N3 | C23 | H27 | 109.5° | 109.5° |
C12 | C17 | C16 | 122.3° | 121.6° |
C12 | C17 | H16 | 118.9° | 119.7° |
C7 | C8 | C9 | 109.8° | 112.3° |
C7 | C8 | C10 | 110.3° | 108.6° |
C7 | C8 | C11 | 109.7° | 109.4° |
C8 | C7 | H4 | 108.1° | 109.5° |
C8 | C7 | H5 | 108.0° | 109.5° |
C21 | C20 | N3 | 109.8° | 110.6° |
C21 | C20 | H19 | 109.4° | 109.5° |
C21 | C20 | H20 | 109.4° | 109.6° |
C20 | C21 | H21 | 107.9° | 109.6° |
C20 | C21 | H22 | 108.0° | 108.3° |
C20 | N3 | C19 | 116.3° | 112.3° |
N3 | C20 | H19 | 109.3° | 109.2° |
N3 | C20 | H20 | 109.4° | 109.6° |
C9 | C8 | C10 | 108.9° | 108.6° |
C9 | C8 | C11 | 111.1° | 109.4° |
C8 | C9 | H6 | 109.3° | 109.7° |
C8 | C9 | H7 | 109.3° | 107.2° |
C25 | C15 | C16 | 120.3° | 121.3° |
C15 | C25 | O3 | 120.8° | 120.0° |
C15 | C16 | C17 | 117.1° | 119.2° |
C15 | C16 | N2 | 120.5° | 119.5° |
N3 | C19 | O2 | 120.0° | 121.1° |
N3 | C19 | C18 | 122.4° | 118.8° |
C17 | C16 | N2 | 122.4° | 121.3° |
C16 | C17 | H16 | 118.9° | 118.4° |
C10 | C8 | C11 | 107.0° | 108.4° |
C8 | C10 | H8 | 109.5° | 109.5° |
C8 | C10 | H9 | 109.5° | 109.5° |
C8 | C10 | H10 | 109.5° | 109.5° |
C8 | C11 | H11 | 109.5° | 109.5° |
C8 | C11 | H12 | 109.5° | 109.5° |
C8 | C11 | H13 | 109.5° | 109.5° |
C16 | N2 | C18 | 127.8° | 118.0° |
C16 | N2 | H17 | 103.7° | 122.5° |
N2 | C18 | C19 | 113.4° | 108.9° |
N2 | C18 | C24 | 110.2° | 108.8° |
C18 | N2 | H17 | 103.8° | 119.6° |
N2 | C18 | H18 | 107.0° | 109.3° |
O2 | C19 | C18 | 117.5° | 120.1° |
C19 | C18 | C24 | 111.8° | 109.6° |
C19 | C18 | H18 | 105.2° | 110.5° |
C24 | C18 | H18 | 108.8° | 109.7° |
C18 | C24 | H28 | 109.5° | 109.5° |
C18 | C24 | H29 | 109.4° | 109.4° |
C18 | C24 | H30 | 109.5° | 109.5° |
H1 | C1 | H2 | 109.5° | 109.4° |
H1 | C1 | H3 | 109.5° | 109.5° |
H2 | C1 | H3 | 109.4° | 109.5° |
H4 | C7 | H5 | 110.9° | 109.4° |
H6 | C9 | H7 | 109.6° | 109.7° |
H8 | C10 | H9 | 109.5° | 109.5° |
H8 | C10 | H10 | 109.4° | 109.4° |
H9 | C10 | H10 | 109.5° | 109.5° |
H11 | C11 | H12 | 109.5° | 109.5° |
H11 | C11 | H13 | 109.4° | 109.4° |
H12 | C11 | H13 | 109.5° | 109.5° |
H19 | C20 | H20 | 109.6° | 108.4° |
H21 | C21 | H22 | 111.0° | 107.6° |
H23 | C22 | H24 | 111.3° | 106.0° |
H25 | C23 | H26 | 109.5° | 109.5° |
H25 | C23 | H27 | 109.5° | 109.4° |
H26 | C23 | H27 | 109.5° | 109.5° |
H28 | C24 | H29 | 109.5° | 109.5° |
H28 | C24 | H30 | 109.5° | 109.5° |
H29 | C24 | H30 | 109.5° | 109.5° |
H31 | N4 | H32 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | C2 | C3 | C22 | 2.0° | 2.6° |
C1 | C2 | C3 | C5 | 179.2° | 178.9° |
C1 | C2 | C3 | N1 | 179.9° | 179.3° |
C1 | C2 | C5 | C6 | 0.3° | 4.1° |
C1 | C2 | C5 | C4 | 179.8° | 176.2° |
C2 | C1 | H1 | H2 | 120.0° | 120.0° |
C2 | C1 | H1 | H3 | 120.0° | 120.1° |
C2 | C1 | H2 | H3 | 120.0° | 120.0° |
C3 | C22 | C21 | H23 | 120.0° | 116.3° |
C3 | C22 | C21 | H24 | 120.0° | 127.0° |
C22 | C3 | C2 | N1 | 178.1° | 178.1° |
C22 | C3 | C2 | C5 | 178.8° | 176.2° |
C22 | C3 | N1 | C4 | 178.6° | 172.0° |
C22 | C3 | N1 | C12 | 2.1° | 9.1° |
C3 | C22 | C21 | C20 | 149.5° | 115.2° |
C3 | C22 | C21 | H21 | 90.5° | 122.5° |
C3 | C22 | C21 | H22 | 29.5° | 5.1° |
C3 | C22 | H23 | H24 | 117.7° | 120.2° |
C21 | C22 | C3 | C2 | 80.9° | 63.6° |
C21 | C22 | C3 | N1 | 101.4° | 118.8° |
C22 | C21 | C20 | H21 | 120.0° | 122.1° |
C22 | C21 | C20 | H22 | 120.0° | 120.7° |
C22 | C21 | C20 | N3 | 74.9° | 38.8° |
C22 | C21 | C20 | H19 | 45.1° | 159.1° |
C22 | C21 | C20 | H20 | 165.1° | 82.1° |
C22 | C21 | H21 | H22 | 118.1° | 118.3° |
C21 | C22 | H23 | H24 | 117.7° | 121.4° |
C3 | C2 | C5 | C6 | 178.9° | 177.1° |
C3 | C2 | C5 | C4 | 0.6° | 2.6° |
C2 | C3 | N1 | C4 | 0.5° | 5.9° |
C2 | C3 | N1 | C12 | 179.7° | 173.0° |
C3 | C2 | C1 | H1 | 90.5° | 90.0° |
C3 | C2 | C1 | H2 | 149.5° | 150.1° |
C3 | C2 | C1 | H3 | 29.6° | 30.1° |
C2 | C3 | C22 | H23 | 159.1° | 53.0° |
C2 | C3 | C22 | H24 | 39.1° | 169.0° |
C5 | C2 | C3 | N1 | 0.7° | 1.8° |
C2 | C5 | C6 | C4 | 179.4° | 179.7° |
C2 | C5 | C6 | O1 | 11.0° | 4.1° |
C2 | C5 | C6 | C7 | 177.8° | 175.9° |
C2 | C5 | C4 | N1 | 0.3° | 6.2° |
C2 | C5 | C4 | C9 | 179.3° | 172.6° |
C5 | C2 | C1 | H1 | 90.5° | 91.4° |
C5 | C2 | C1 | H2 | 29.5° | 28.6° |
C5 | C2 | C1 | H3 | 149.5° | 148.6° |
C14 | C13 | C12 | H14 | 180.0° | 177.5° |
C13 | C14 | C15 | H15 | 180.0° | 179.9° |
C14 | C13 | C12 | N1 | 176.5° | 176.1° |
C14 | C13 | C12 | C17 | 2.1° | 5.8° |
C13 | C14 | C15 | C25 | 179.1° | 178.6° |
C13 | C14 | C15 | C16 | 0.0° | 1.7° |
C13 | C12 | N1 | C3 | 124.1° | 174.8° |
C12 | C13 | C14 | C15 | 0.4° | 1.2° |
C13 | C12 | N1 | C4 | 56.7° | 6.4° |
C13 | C12 | N1 | C17 | 178.6° | 178.0° |
C13 | C12 | C17 | C16 | 3.6° | 7.8° |
C12 | C13 | C14 | H15 | 179.6° | 178.7° |
C13 | C12 | C17 | H16 | 176.4° | 166.1° |
C3 | N1 | C4 | C5 | 0.1° | 7.5° |
C3 | N1 | C4 | C12 | 179.3° | 178.9° |
C3 | N1 | C4 | C9 | 178.9° | 171.1° |
C3 | N1 | C12 | C17 | 54.5° | 7.2° |
N1 | C3 | C22 | H23 | 18.6° | 124.6° |
N1 | C3 | C22 | H24 | 138.6° | 8.6° |
C14 | C15 | C25 | N4 | 23.2° | 0.0° |
C14 | C15 | C25 | C16 | 179.1° | 179.7° |
C14 | C15 | C25 | O3 | 156.1° | 180.0° |
C14 | C15 | C16 | C17 | 1.3° | 0.3° |
C14 | C15 | C16 | N2 | 179.3° | 179.9° |
C15 | C14 | C13 | H14 | 179.6° | 176.4° |
C5 | C6 | O1 | C7 | 166.4° | 180.0° |
C6 | C5 | C4 | N1 | 179.2° | 173.6° |
C6 | C5 | C4 | C9 | 0.3° | 7.7° |
C5 | C6 | C7 | C8 | 25.4° | 36.2° |
C5 | C6 | C7 | H4 | 145.4° | 156.3° |
C5 | C6 | C7 | H5 | 94.6° | 83.9° |
C4 | C5 | C6 | O1 | 168.4° | 176.3° |
C4 | C5 | C6 | C7 | 1.6° | 3.8° |
C5 | C4 | N1 | C9 | 178.9° | 178.6° |
C5 | C4 | N1 | C12 | 179.4° | 171.4° |
C5 | C4 | C9 | C8 | 27.2° | 14.9° |
C5 | C4 | C9 | H6 | 92.8° | 107.0° |
C5 | C4 | C9 | H7 | 147.2° | 132.9° |
O1 | C6 | C7 | C8 | 141.3° | 143.8° |
O1 | C6 | C7 | H4 | 21.3° | 23.7° |
O1 | C6 | C7 | H5 | 98.7° | 96.1° |
C6 | C7 | C8 | H4 | 120.0° | 120.0° |
C6 | C7 | C8 | H5 | 120.0° | 120.1° |
C6 | C7 | C8 | C9 | 51.7° | 59.2° |
C6 | C7 | C8 | C10 | 171.7° | 179.3° |
C6 | C7 | C8 | C11 | 70.6° | 62.6° |
C6 | C7 | H4 | H5 | 118.2° | 119.8° |
N4 | C25 | C15 | O3 | 179.3° | 180.0° |
N4 | C25 | C15 | C16 | 157.7° | 179.7° |
C25 | N4 | H31 | H32 | 180.0° | 180.0° |
C4 | N1 | C12 | C17 | 124.6° | 171.6° |
N1 | C4 | C9 | C8 | 151.6° | 163.6° |
N1 | C4 | C9 | H6 | 88.4° | 74.6° |
N1 | C4 | C9 | H7 | 31.6° | 45.6° |
C12 | N1 | C4 | C9 | 0.4° | 9.9° |
N1 | C12 | C17 | C16 | 175.1° | 174.1° |
N1 | C12 | C13 | H14 | 3.5° | 6.4° |
N1 | C12 | C17 | H16 | 4.9° | 12.0° |
C4 | C9 | C8 | C7 | 51.1° | 48.3° |
C4 | C9 | C8 | H6 | 120.0° | 122.0° |
C4 | C9 | C8 | H7 | 120.0° | 118.9° |
C4 | C9 | C8 | C10 | 171.9° | 168.4° |
C4 | C9 | C8 | C11 | 70.4° | 73.4° |
C4 | C9 | H6 | H7 | 119.8° | 119.6° |
C23 | N3 | C20 | C21 | 114.5° | 55.2° |
C23 | N3 | C20 | C19 | 179.7° | 178.0° |
C23 | N3 | C19 | O2 | 178.9° | 148.2° |
C23 | N3 | C19 | C18 | 2.9° | 34.9° |
C23 | N3 | C20 | H19 | 5.6° | 65.3° |
C23 | N3 | C20 | H20 | 125.5° | 176.2° |
N3 | C23 | H25 | H26 | 120.0° | 120.1° |
N3 | C23 | H25 | H27 | 120.0° | 119.9° |
N3 | C23 | H26 | H27 | 120.0° | 120.0° |
C12 | C17 | C16 | C15 | 3.1° | 5.1° |
C12 | C17 | C16 | H16 | 180.0° | 174.0° |
C12 | C17 | C16 | N2 | 178.9° | 175.0° |
C17 | C12 | C13 | H14 | 177.9° | 171.6° |
C7 | C8 | C9 | C10 | 120.8° | 120.1° |
C7 | C8 | C9 | C11 | 121.5° | 121.7° |
C7 | C8 | C10 | C11 | 119.3° | 118.8° |
C8 | C7 | H4 | H5 | 118.2° | 120.0° |
C7 | C8 | C9 | H6 | 68.9° | 73.7° |
C7 | C8 | C9 | H7 | 171.1° | 167.3° |
C7 | C8 | C10 | H8 | 180.0° | 60.0° |
C7 | C8 | C10 | H9 | 60.0° | 180.0° |
C7 | C8 | C10 | H10 | 60.0° | 60.0° |
C7 | C8 | C11 | H11 | 180.0° | 60.0° |
C7 | C8 | C11 | H12 | 60.0° | 180.0° |
C7 | C8 | C11 | H13 | 60.0° | 60.0° |
C21 | C20 | N3 | H19 | 120.0° | 120.5° |
C21 | C20 | N3 | H20 | 120.0° | 120.9° |
C21 | C20 | N3 | C19 | 65.8° | 126.8° |
C21 | C20 | H19 | H20 | 119.9° | 119.5° |
C20 | C21 | H21 | H22 | 118.1° | 117.5° |
C20 | C21 | C22 | H23 | 29.5° | 128.5° |
C20 | C21 | C22 | H24 | 90.5° | 11.7° |
C20 | N3 | C19 | O2 | 0.8° | 29.7° |
C20 | N3 | C19 | C18 | 177.4° | 147.1° |
N3 | C20 | H19 | H20 | 119.8° | 119.3° |
N3 | C20 | C21 | H21 | 165.1° | 83.3° |
N3 | C20 | C21 | H22 | 45.1° | 159.6° |
C20 | N3 | C23 | H25 | 180.0° | 177.9° |
C20 | N3 | C23 | H26 | 60.0° | 57.8° |
C20 | N3 | C23 | H27 | 60.0° | 62.2° |
C9 | C8 | C10 | C11 | 120.2° | 118.8° |
C9 | C8 | C7 | H4 | 171.7° | 179.1° |
C9 | C8 | C7 | H5 | 68.3° | 60.9° |
C8 | C9 | H6 | H7 | 119.8° | 117.6° |
C9 | C8 | C10 | H8 | 59.5° | 62.4° |
C9 | C8 | C10 | H9 | 179.5° | 57.6° |
C9 | C8 | C10 | H10 | 60.5° | 177.6° |
C9 | C8 | C11 | H11 | 58.5° | 176.6° |
C9 | C8 | C11 | H12 | 61.6° | 56.6° |
C9 | C8 | C11 | H13 | 178.4° | 63.5° |
C25 | C15 | C16 | C17 | 177.7° | 179.4° |
C25 | C15 | C16 | N2 | 0.2° | 0.4° |
C25 | C15 | C14 | H15 | 0.9° | 1.3° |
C15 | C25 | N4 | H31 | 179.3° | 0.0° |
C15 | C25 | N4 | H32 | 0.7° | 180.0° |
C16 | C15 | C25 | O3 | 23.0° | 0.3° |
C15 | C16 | C17 | N2 | 177.9° | 179.9° |
C15 | C16 | N2 | C18 | 175.1° | 161.9° |
C16 | C15 | C14 | H15 | 180.0° | 178.4° |
C15 | C16 | C17 | H16 | 176.9° | 168.9° |
C15 | C16 | N2 | H17 | 55.0° | 19.2° |
O3 | C25 | N4 | H31 | 0.0° | 180.0° |
O3 | C25 | N4 | H32 | 180.0° | 0.0° |
N3 | C19 | C18 | N2 | 37.4° | 141.1° |
N3 | C19 | O2 | C18 | 178.3° | 176.8° |
N3 | C19 | C18 | C24 | 88.0° | 99.9° |
N3 | C19 | C18 | H18 | 154.1° | 21.1° |
C19 | N3 | C20 | H19 | 174.2° | 112.7° |
C19 | N3 | C20 | H20 | 54.2° | 5.8° |
C19 | N3 | C23 | H25 | 0.3° | 0.1° |
C19 | N3 | C23 | H26 | 120.3° | 120.0° |
C19 | N3 | C23 | H27 | 119.7° | 120.0° |
C17 | C16 | N2 | C18 | 2.8° | 18.3° |
C17 | C16 | N2 | H17 | 122.8° | 160.7° |
C10 | C8 | C7 | H4 | 68.3° | 60.7° |
C10 | C8 | C7 | H5 | 51.7° | 59.2° |
C10 | C8 | C9 | H6 | 51.9° | 46.4° |
C10 | C8 | C9 | H7 | 68.1° | 72.6° |
C8 | C10 | H8 | H9 | 120.0° | 120.0° |
C8 | C10 | H8 | H10 | 120.0° | 120.0° |
C8 | C10 | H9 | H10 | 120.0° | 120.0° |
C10 | C8 | C11 | H11 | 60.3° | 58.3° |
C10 | C8 | C11 | H12 | 179.7° | 61.7° |
C10 | C8 | C11 | H13 | 59.7° | 178.2° |
C11 | C8 | C7 | H4 | 49.4° | 57.4° |
C11 | C8 | C7 | H5 | 169.4° | 177.4° |
C11 | C8 | C9 | H6 | 169.6° | 164.6° |
C11 | C8 | C9 | H7 | 49.6° | 45.5° |
C11 | C8 | C10 | H8 | 60.7° | 178.8° |
C11 | C8 | C10 | H9 | 59.3° | 61.2° |
C11 | C8 | C10 | H10 | 179.3° | 58.8° |
C8 | C11 | H11 | H12 | 120.0° | 120.0° |
C8 | C11 | H11 | H13 | 120.0° | 120.0° |
C8 | C11 | H12 | H13 | 120.0° | 120.0° |
C16 | N2 | C18 | H17 | 120.0° | 178.9° |
C16 | N2 | C18 | C19 | 43.7° | 70.0° |
C16 | N2 | C18 | C24 | 170.0° | 170.5° |
N2 | C16 | C17 | H16 | 1.0° | 11.0° |
C16 | N2 | C18 | H18 | 71.9° | 50.8° |
N2 | C18 | C19 | O2 | 140.8° | 35.7° |
N2 | C18 | C19 | C24 | 125.4° | 119.0° |
N2 | C18 | C19 | H18 | 116.7° | 120.0° |
N2 | C18 | C24 | H18 | 117.0° | 119.5° |
N2 | C18 | C24 | H28 | 180.0° | 60.0° |
N2 | C18 | C24 | H29 | 60.0° | 180.0° |
N2 | C18 | C24 | H30 | 60.0° | 60.0° |
O2 | C19 | C18 | C24 | 93.8° | 83.2° |
O2 | C19 | C18 | H18 | 24.2° | 155.7° |
C19 | C18 | C24 | H18 | 115.8° | 121.5° |
C19 | C18 | N2 | H17 | 163.7° | 108.9° |
C19 | C18 | C24 | H28 | 52.8° | 59.0° |
C19 | C18 | C24 | H29 | 172.9° | 61.0° |
C19 | C18 | C24 | H30 | 67.2° | 179.0° |
C24 | C18 | N2 | H17 | 70.0° | 10.5° |
C18 | C24 | H28 | H29 | 120.0° | 119.9° |
C18 | C24 | H28 | H30 | 120.0° | 120.0° |
C18 | C24 | H29 | H30 | 120.0° | 120.0° |
H1 | C1 | H2 | H3 | 120.0° | 120.0° |
H8 | C10 | H9 | H10 | 120.0° | 120.0° |
H11 | C11 | H12 | H13 | 120.0° | 120.0° |
H14 | C13 | C14 | H15 | 0.4° | 3.7° |
H17 | N2 | C18 | H18 | 48.1° | 130.3° |
H18 | C18 | C24 | H28 | 63.0° | 179.5° |
H18 | C18 | C24 | H29 | 57.0° | 60.5° |
H18 | C18 | C24 | H30 | 177.0° | 59.5° |
H19 | C20 | C21 | H21 | 74.9° | 37.0° |
H19 | C20 | C21 | H22 | 165.0° | 80.1° |
H20 | C20 | C21 | H21 | 45.1° | 155.7° |
H20 | C20 | C21 | H22 | 75.0° | 38.6° |
H21 | C21 | C22 | H23 | 149.5° | 6.2° |
H21 | C21 | C22 | H24 | 29.5° | 110.5° |
H22 | C21 | C22 | H23 | 90.5° | 111.2° |
H22 | C21 | C22 | H24 | 149.5° | 132.0° |
H25 | C23 | H26 | H27 | 120.0° | 119.9° |
H28 | C24 | H29 | H30 | 120.0° | 120.0° |