2YT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
C3 | C4 | sing | 1.51Å | 1.52Å | |
C3 | C2 | sing | 1.53Å | 1.54Å | |
C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
C4 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
N1 | C2 | sing | 1.47Å | 1.46Å | |
N28 | C27 | doub | 1.30Å | 1.37Å | |
C2 | C10 | sing | 1.51Å | 1.51Å | |
N29 | C27 | sing | 1.37Å | 1.32Å | |
C27 | N26 | sing | 1.38Å | 1.37Å | |
C10 | N11 | sing | 1.35Å | 1.33Å | |
C10 | O34 | doub | 1.21Å | 1.25Å | |
O33 | C20 | doub | 1.21Å | 1.22Å | |
N11 | C12 | sing | 1.47Å | 1.47Å | |
C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
C19 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
N26 | C25 | sing | 1.46Å | 1.47Å | |
C13 | C12 | sing | 1.53Å | 1.52Å | |
C13 | C14 | sing | 1.51Å | 1.52Å | |
C20 | C12 | sing | 1.51Å | 1.51Å | |
C20 | N21 | sing | 1.35Å | 1.36Å | |
C25 | C24 | sing | 1.53Å | 1.53Å | |
C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
N21 | C22 | sing | 1.47Å | 1.47Å | |
C22 | C30 | sing | 1.53Å | 1.54Å | |
C22 | C23 | sing | 1.53Å | 1.55Å | |
C32 | C30 | sing | 1.53Å | 1.55Å | |
C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
C24 | C23 | sing | 1.53Å | 1.53Å | |
C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
O31 | C30 | sing | 1.43Å | 1.41Å | |
C32 | CL1 | sing | 1.80Å | 1.51Å | |
C5 | H1 | sing | 1.08Å | 1.08Å | |
C6 | H2 | sing | 1.08Å | 1.08Å | |
C7 | H3 | sing | 1.08Å | 1.08Å | |
C8 | H4 | sing | 1.08Å | 1.08Å | |
C9 | H5 | sing | 1.08Å | 1.08Å | |
C12 | H6 | sing | 1.09Å | 1.10Å | |
C13 | H7 | sing | 1.09Å | 1.10Å | |
C13 | H8 | sing | 1.09Å | 1.10Å | |
N1 | H9 | sing | 1.01Å | 1.00Å | |
N1 | H10 | sing | 1.01Å | 1.00Å | |
C3 | H12 | sing | 1.09Å | 1.10Å | |
C3 | H13 | sing | 1.09Å | 1.10Å | |
C2 | H14 | sing | 1.09Å | 1.10Å | |
N11 | H15 | sing | 0.97Å | 1.00Å | |
C15 | H16 | sing | 1.08Å | 1.08Å | |
C16 | H17 | sing | 1.08Å | 1.08Å | |
C17 | H18 | sing | 1.08Å | 1.08Å | |
C18 | H19 | sing | 1.08Å | 1.08Å | |
C19 | H20 | sing | 1.08Å | 1.08Å | |
N21 | H21 | sing | 0.97Å | 1.00Å | |
C22 | H22 | sing | 1.09Å | 1.10Å | |
C23 | H23 | sing | 1.09Å | 1.10Å | |
C23 | H24 | sing | 1.09Å | 1.10Å | |
C24 | H25 | sing | 1.09Å | 1.10Å | |
C24 | H26 | sing | 1.09Å | 1.10Å | |
C25 | H27 | sing | 1.09Å | 1.10Å | |
C25 | H28 | sing | 1.09Å | 1.10Å | |
N26 | H29 | sing | 0.97Å | 1.00Å | |
N28 | H30 | sing | 0.97Å | 1.00Å | |
N29 | H31 | sing | 0.97Å | 1.00Å | |
N29 | H32 | sing | 0.97Å | 1.00Å | |
C30 | H33 | sing | 1.09Å | 1.10Å | |
O31 | H34 | sing | 0.97Å | 0.95Å | |
C32 | H35 | sing | 1.09Å | 1.10Å | |
C32 | H36 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C6 | C5 | C4 | 120.7° | 120.0° |
C5 | C6 | C7 | 119.4° | 120.0° |
C6 | C5 | H1 | 119.7° | 120.0° |
C5 | C6 | H2 | 120.3° | 120.0° |
C5 | C4 | C3 | 119.3° | 120.0° |
C5 | C4 | C9 | 119.6° | 119.9° |
C4 | C5 | H1 | 119.6° | 120.0° |
C6 | C7 | C8 | 120.3° | 120.0° |
C7 | C6 | H2 | 120.3° | 120.0° |
C6 | C7 | H3 | 119.9° | 120.0° |
C4 | C3 | C2 | 123.2° | 109.5° |
C3 | C4 | C9 | 121.1° | 120.0° |
C4 | C3 | H12 | 106.0° | 109.4° |
C4 | C3 | H13 | 105.9° | 109.5° |
C3 | C2 | N1 | 104.2° | 109.5° |
C3 | C2 | C10 | 116.4° | 109.5° |
C2 | C3 | H12 | 105.9° | 109.5° |
C2 | C3 | H13 | 105.9° | 109.5° |
C3 | C2 | H14 | 109.1° | 109.4° |
C7 | C8 | C9 | 120.2° | 120.0° |
C8 | C7 | H3 | 119.8° | 120.0° |
C7 | C8 | H4 | 119.9° | 120.1° |
C4 | C9 | C8 | 119.8° | 120.0° |
C4 | C9 | H5 | 120.1° | 120.0° |
C9 | C8 | H4 | 119.9° | 119.9° |
C8 | C9 | H5 | 120.1° | 120.0° |
N1 | C2 | C10 | 107.1° | 109.5° |
C2 | N1 | H9 | 109.5° | 111.0° |
C2 | N1 | H10 | 109.5° | 111.0° |
N1 | C2 | H14 | 110.2° | 109.4° |
N28 | C27 | N29 | 119.6° | 120.0° |
N28 | C27 | N26 | 119.2° | 120.0° |
C27 | N28 | H30 | 112.0° | 120.0° |
C2 | C10 | N11 | 119.5° | 120.0° |
C2 | C10 | O34 | 118.1° | 120.0° |
C10 | C2 | H14 | 109.6° | 109.5° |
N29 | C27 | N26 | 121.2° | 120.0° |
C27 | N29 | H31 | 120.0° | 120.0° |
C27 | N29 | H32 | 120.0° | 120.0° |
C27 | N26 | C25 | 121.9° | 120.0° |
C27 | N26 | H29 | 119.1° | 120.0° |
N11 | C10 | O34 | 122.4° | 120.0° |
C10 | N11 | C12 | 122.2° | 120.0° |
C10 | N11 | H15 | 118.9° | 120.0° |
O33 | C20 | C12 | 123.0° | 120.0° |
O33 | C20 | N21 | 120.1° | 120.0° |
N11 | C12 | C13 | 109.3° | 109.5° |
N11 | C12 | C20 | 110.8° | 109.5° |
N11 | C12 | H6 | 110.6° | 109.5° |
C12 | N11 | H15 | 118.9° | 120.0° |
C18 | C19 | C14 | 121.4° | 120.0° |
C19 | C18 | C17 | 120.0° | 120.0° |
C19 | C18 | H19 | 120.0° | 120.0° |
C18 | C19 | H20 | 119.3° | 119.9° |
C19 | C14 | C13 | 118.6° | 120.0° |
C19 | C14 | C15 | 117.6° | 120.0° |
C14 | C19 | H20 | 119.3° | 120.1° |
N26 | C25 | C24 | 107.2° | 109.5° |
N26 | C25 | H27 | 110.0° | 109.5° |
N26 | C25 | H28 | 110.0° | 109.5° |
C25 | N26 | H29 | 119.0° | 120.0° |
C12 | C13 | C14 | 114.4° | 109.5° |
C13 | C12 | C20 | 106.0° | 109.5° |
C13 | C12 | H6 | 109.9° | 109.5° |
C12 | C13 | H7 | 108.2° | 109.5° |
C12 | C13 | H8 | 108.2° | 109.5° |
C13 | C14 | C15 | 123.7° | 120.0° |
C14 | C13 | H7 | 108.2° | 109.4° |
C14 | C13 | H8 | 108.2° | 109.4° |
C12 | C20 | N21 | 116.9° | 120.0° |
C20 | C12 | H6 | 110.1° | 109.4° |
C20 | N21 | C22 | 122.8° | 120.0° |
C20 | N21 | H21 | 118.6° | 120.0° |
C25 | C24 | C23 | 113.0° | 109.5° |
C25 | C24 | H25 | 108.6° | 109.5° |
C25 | C24 | H26 | 108.6° | 109.5° |
C24 | C25 | H27 | 110.0° | 109.4° |
C24 | C25 | H28 | 110.0° | 109.4° |
C18 | C17 | C16 | 119.6° | 120.0° |
C18 | C17 | H18 | 120.2° | 120.0° |
C17 | C18 | H19 | 120.0° | 120.0° |
C14 | C15 | C16 | 121.5° | 120.0° |
C14 | C15 | H16 | 119.3° | 120.0° |
N21 | C22 | C30 | 110.3° | 109.4° |
N21 | C22 | C23 | 110.2° | 109.5° |
C22 | N21 | H21 | 118.6° | 120.0° |
N21 | C22 | H22 | 109.9° | 109.5° |
C30 | C22 | C23 | 108.8° | 109.5° |
C22 | C30 | C32 | 107.1° | 109.5° |
C22 | C30 | O31 | 106.6° | 109.4° |
C30 | C22 | H22 | 108.9° | 109.4° |
C22 | C30 | H33 | 111.5° | 109.4° |
C22 | C23 | C24 | 113.7° | 109.5° |
C23 | C22 | H22 | 108.8° | 109.5° |
C22 | C23 | H23 | 108.4° | 109.4° |
C22 | C23 | H24 | 108.4° | 109.4° |
C32 | C30 | O31 | 106.0° | 109.5° |
C30 | C32 | CL1 | 118.3° | 109.5° |
C32 | C30 | H33 | 111.5° | 109.5° |
C30 | C32 | H35 | 107.2° | 109.4° |
C30 | C32 | H36 | 107.2° | 109.4° |
C17 | C16 | C15 | 120.0° | 120.0° |
C17 | C16 | H17 | 120.0° | 120.0° |
C16 | C17 | H18 | 120.2° | 120.0° |
C24 | C23 | H23 | 108.4° | 109.5° |
C24 | C23 | H24 | 108.4° | 109.5° |
C23 | C24 | H25 | 108.6° | 109.5° |
C23 | C24 | H26 | 108.6° | 109.4° |
C16 | C15 | H16 | 119.3° | 120.0° |
C15 | C16 | H17 | 120.0° | 120.0° |
O31 | C30 | H33 | 113.7° | 109.5° |
C30 | O31 | H34 | 109.5° | 114.0° |
CL1 | C32 | H35 | 107.2° | 109.5° |
CL1 | C32 | H36 | 107.2° | 109.5° |
H7 | C13 | H8 | 109.5° | 109.5° |
H9 | N1 | H10 | 109.5° | 110.9° |
H12 | C3 | H13 | 109.5° | 109.5° |
H23 | C23 | H24 | 109.5° | 109.5° |
H25 | C24 | H26 | 109.5° | 109.5° |
H27 | C25 | H28 | 109.5° | 109.5° |
H31 | N29 | H32 | 120.0° | 119.9° |
H35 | C32 | H36 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C6 | C5 | C4 | H1 | 180.0° | 179.9° |
C5 | C6 | C7 | H2 | 180.0° | 180.0° |
C6 | C5 | C4 | C3 | 179.1° | 180.0° |
C5 | C6 | C7 | C8 | 0.3° | 0.2° |
C6 | C5 | C4 | C9 | 1.8° | 0.3° |
C5 | C6 | C7 | H3 | 179.7° | 180.0° |
C4 | C5 | C6 | C7 | 1.2° | 0.1° |
C5 | C4 | C3 | C9 | 177.3° | 179.7° |
C5 | C4 | C3 | C2 | 108.0° | 89.8° |
C5 | C4 | C9 | C8 | 1.5° | 0.3° |
C4 | C5 | C6 | H2 | 178.9° | 180.0° |
C5 | C4 | C9 | H5 | 178.5° | 179.7° |
C5 | C4 | C3 | H12 | 13.9° | 150.3° |
C5 | C4 | C3 | H13 | 130.1° | 30.3° |
C6 | C7 | C8 | H3 | 180.0° | 179.8° |
C6 | C7 | C8 | C9 | 0.1° | 0.2° |
C7 | C6 | C5 | H1 | 178.8° | 180.0° |
C6 | C7 | C8 | H4 | 179.9° | 179.7° |
C4 | C3 | C2 | H12 | 121.9° | 120.0° |
C4 | C3 | C2 | H13 | 121.9° | 120.1° |
C3 | C4 | C9 | C8 | 178.8° | 180.0° |
C4 | C3 | C2 | N1 | 152.5° | 65.0° |
C4 | C3 | C2 | C10 | 34.8° | 175.0° |
C3 | C4 | C5 | H1 | 0.9° | 0.0° |
C3 | C4 | C9 | H5 | 1.2° | 0.0° |
C4 | C3 | H12 | H13 | 113.8° | 120.0° |
C4 | C3 | C2 | H14 | 89.8° | 55.0° |
C2 | C3 | C4 | C9 | 74.7° | 90.0° |
C3 | C2 | N1 | C10 | 123.9° | 120.1° |
C3 | C2 | N1 | H14 | 117.0° | 120.0° |
C3 | C2 | C10 | H14 | 124.4° | 120.0° |
C3 | C2 | C10 | N11 | 22.8° | 79.9° |
C3 | C2 | C10 | O34 | 157.2° | 100.0° |
C3 | C2 | N1 | H9 | 180.0° | 60.0° |
C3 | C2 | N1 | H10 | 60.0° | 63.9° |
C2 | C3 | H12 | H13 | 113.8° | 120.0° |
C7 | C8 | C9 | C4 | 0.7° | 0.0° |
C7 | C8 | C9 | H4 | 180.0° | 180.0° |
C8 | C7 | C6 | H2 | 179.7° | 179.8° |
C7 | C8 | C9 | H5 | 179.3° | 180.0° |
C4 | C9 | C8 | H5 | 180.0° | 180.0° |
C9 | C4 | C5 | H1 | 178.2° | 179.8° |
C4 | C9 | C8 | H4 | 179.3° | 180.0° |
C9 | C4 | C3 | H12 | 163.4° | 30.0° |
C9 | C4 | C3 | H13 | 47.2° | 150.0° |
C9 | C8 | C7 | H3 | 179.9° | 180.0° |
N1 | C2 | C10 | H14 | 119.5° | 119.9° |
N1 | C2 | C10 | N11 | 138.9° | 160.0° |
N1 | C2 | C10 | O34 | 41.2° | 20.1° |
C2 | N1 | H9 | H10 | 120.0° | 123.9° |
N1 | C2 | C3 | H12 | 30.6° | 55.0° |
N1 | C2 | C3 | H13 | 85.6° | 175.0° |
N28 | C27 | N29 | N26 | 179.6° | 180.0° |
N28 | C27 | N26 | C25 | 5.3° | 0.0° |
N28 | C27 | N26 | H29 | 174.7° | 180.0° |
N28 | C27 | N29 | H31 | 179.6° | 180.0° |
N28 | C27 | N29 | H32 | 0.4° | 0.0° |
C2 | C10 | N11 | O34 | 179.9° | 179.9° |
C2 | C10 | N11 | C12 | 178.9° | 180.0° |
C10 | C2 | N1 | H9 | 56.1° | 60.1° |
C10 | C2 | N1 | H10 | 63.9° | 176.0° |
C10 | C2 | C3 | H12 | 87.1° | 65.0° |
C10 | C2 | C3 | H13 | 156.7° | 55.0° |
C2 | C10 | N11 | H15 | 1.0° | 0.1° |
N29 | C27 | N26 | C25 | 175.1° | 180.0° |
N29 | C27 | N26 | H29 | 4.9° | 0.0° |
N29 | C27 | N28 | H30 | 179.6° | 180.0° |
C27 | N29 | H31 | H32 | 180.0° | 180.0° |
C27 | N26 | C25 | H29 | 180.0° | 180.0° |
C27 | N26 | C25 | C24 | 177.2° | 180.0° |
C27 | N26 | C25 | H27 | 63.1° | 60.1° |
C27 | N26 | C25 | H28 | 57.6° | 60.0° |
N26 | C27 | N28 | H30 | 0.0° | 0.0° |
N26 | C27 | N29 | H31 | 0.0° | 0.0° |
N26 | C27 | N29 | H32 | 180.0° | 180.0° |
C10 | N11 | C12 | H15 | 180.0° | 179.9° |
C10 | N11 | C12 | C13 | 178.7° | 85.0° |
C10 | N11 | C12 | C20 | 62.3° | 155.0° |
C10 | N11 | C12 | H6 | 60.1° | 35.1° |
N11 | C10 | C2 | H14 | 101.6° | 40.1° |
O34 | C10 | N11 | C12 | 1.1° | 0.1° |
O34 | C10 | C2 | H14 | 78.4° | 140.0° |
O34 | C10 | N11 | H15 | 178.9° | 180.0° |
O33 | C20 | C12 | N11 | 40.4° | 0.1° |
O33 | C20 | C12 | C13 | 78.1° | 119.9° |
O33 | C20 | C12 | N21 | 179.4° | 179.9° |
O33 | C20 | N21 | C22 | 0.2° | 0.1° |
O33 | C20 | C12 | H6 | 163.1° | 120.0° |
O33 | C20 | N21 | H21 | 179.9° | 180.0° |
N11 | C12 | C13 | C20 | 119.4° | 120.0° |
N11 | C12 | C13 | H6 | 121.6° | 120.0° |
N11 | C12 | C13 | C14 | 87.7° | 65.0° |
N11 | C12 | C20 | H6 | 122.7° | 119.9° |
N11 | C12 | C20 | N21 | 140.2° | 180.0° |
N11 | C12 | C13 | H7 | 33.0° | 55.0° |
N11 | C12 | C13 | H8 | 151.6° | 175.0° |
C18 | C19 | C14 | H20 | 180.0° | 180.0° |
C18 | C19 | C14 | C13 | 178.5° | 180.0° |
C19 | C18 | C17 | H19 | 180.0° | 180.0° |
C18 | C19 | C14 | C15 | 0.4° | 0.3° |
C19 | C18 | C17 | C16 | 0.8° | 0.2° |
C19 | C18 | C17 | H18 | 179.3° | 180.0° |
C19 | C14 | C13 | C12 | 141.3° | 89.7° |
C19 | C14 | C13 | C15 | 178.0° | 179.7° |
C14 | C19 | C18 | C17 | 0.4° | 0.1° |
C19 | C14 | C15 | C16 | 0.9° | 0.3° |
C19 | C14 | C13 | H7 | 20.6° | 150.3° |
C19 | C14 | C13 | H8 | 97.9° | 30.3° |
C19 | C14 | C15 | H16 | 179.1° | 179.7° |
C14 | C19 | C18 | H19 | 179.6° | 180.0° |
N26 | C25 | C24 | H27 | 119.6° | 120.0° |
N26 | C25 | C24 | H28 | 119.7° | 120.0° |
N26 | C25 | C24 | C23 | 171.3° | 180.0° |
N26 | C25 | C24 | H25 | 50.7° | 60.0° |
N26 | C25 | C24 | H26 | 68.2° | 60.0° |
N26 | C25 | H27 | H28 | 121.0° | 120.1° |
C12 | C13 | C14 | H7 | 120.7° | 120.0° |
C12 | C13 | C14 | H8 | 120.7° | 120.0° |
C13 | C12 | C20 | H6 | 118.8° | 120.0° |
C13 | C12 | C20 | N21 | 101.3° | 60.0° |
C12 | C13 | C14 | C15 | 40.7° | 90.0° |
C12 | C13 | H7 | H8 | 117.8° | 120.0° |
C13 | C12 | N11 | H15 | 1.2° | 95.0° |
C14 | C13 | C12 | C20 | 152.8° | 175.0° |
C13 | C14 | C15 | C16 | 178.9° | 180.0° |
C14 | C13 | C12 | H6 | 33.9° | 55.0° |
C14 | C13 | H7 | H8 | 117.7° | 119.9° |
C13 | C14 | C15 | H16 | 1.1° | 0.0° |
C13 | C14 | C19 | H20 | 1.5° | 0.1° |
C12 | C20 | N21 | C22 | 179.6° | 180.0° |
C20 | C12 | C13 | H7 | 86.4° | 65.0° |
C20 | C12 | C13 | H8 | 32.1° | 55.0° |
C20 | C12 | N11 | H15 | 117.7° | 25.1° |
C12 | C20 | N21 | H21 | 0.4° | 0.1° |
C20 | N21 | C22 | H21 | 180.0° | 179.9° |
C20 | N21 | C22 | C30 | 116.3° | 85.0° |
C20 | N21 | C22 | C23 | 123.6° | 155.0° |
N21 | C20 | C12 | H6 | 17.5° | 60.1° |
C20 | N21 | C22 | H22 | 3.8° | 34.9° |
C25 | C24 | C23 | C22 | 59.1° | 180.0° |
C25 | C24 | C23 | H25 | 120.5° | 120.0° |
C25 | C24 | C23 | H26 | 120.5° | 120.0° |
C25 | C24 | C23 | H23 | 179.8° | 60.0° |
C25 | C24 | C23 | H24 | 61.5° | 60.1° |
C25 | C24 | H25 | H26 | 118.4° | 120.0° |
C24 | C25 | H27 | H28 | 121.0° | 119.9° |
C24 | C25 | N26 | H29 | 2.8° | 0.0° |
C18 | C17 | C16 | H18 | 180.0° | 179.8° |
C18 | C17 | C16 | C15 | 0.3° | 0.2° |
C18 | C17 | C16 | H17 | 179.7° | 179.8° |
C17 | C18 | C19 | H20 | 179.6° | 180.0° |
C14 | C15 | C16 | C17 | 0.6° | 0.1° |
C14 | C15 | C16 | H16 | 180.0° | 180.0° |
C15 | C14 | C13 | H7 | 161.5° | 30.1° |
C15 | C14 | C13 | H8 | 80.0° | 150.0° |
C14 | C15 | C16 | H17 | 179.4° | 180.0° |
C15 | C14 | C19 | H20 | 179.6° | 179.7° |
N21 | C22 | C30 | C23 | 120.9° | 120.0° |
N21 | C22 | C30 | H22 | 120.7° | 120.0° |
N21 | C22 | C23 | H22 | 120.5° | 120.0° |
N21 | C22 | C30 | C32 | 52.2° | 60.0° |
N21 | C22 | C23 | C24 | 50.4° | 65.0° |
N21 | C22 | C30 | O31 | 165.3° | 180.0° |
N21 | C22 | C23 | H23 | 70.3° | 55.0° |
N21 | C22 | C23 | H24 | 171.0° | 175.0° |
N21 | C22 | C30 | H33 | 70.0° | 60.1° |
C30 | C22 | C23 | H22 | 118.5° | 120.0° |
C22 | C30 | C32 | O31 | 113.5° | 120.0° |
C22 | C30 | C32 | H33 | 122.3° | 120.0° |
C30 | C22 | C23 | C24 | 171.4° | 175.0° |
C22 | C30 | O31 | H33 | 123.3° | 119.9° |
C22 | C30 | C32 | CL1 | 96.4° | 175.0° |
C30 | C22 | N21 | H21 | 63.7° | 95.1° |
C30 | C22 | C23 | H23 | 50.8° | 65.0° |
C30 | C22 | C23 | H24 | 67.9° | 55.0° |
C22 | C30 | O31 | H34 | 180.0° | 60.0° |
C22 | C30 | C32 | H35 | 24.8° | 55.0° |
C22 | C30 | C32 | H36 | 142.3° | 65.0° |
C23 | C22 | C30 | C32 | 173.2° | 180.0° |
C22 | C23 | C24 | H23 | 120.6° | 120.0° |
C22 | C23 | C24 | H24 | 120.6° | 119.9° |
C23 | C22 | C30 | O31 | 73.7° | 60.0° |
C23 | C22 | N21 | H21 | 56.4° | 25.0° |
C22 | C23 | H23 | H24 | 118.1° | 119.9° |
C22 | C23 | C24 | H25 | 179.6° | 60.0° |
C22 | C23 | C24 | H26 | 61.4° | 60.0° |
C23 | C22 | C30 | H33 | 50.9° | 60.0° |
C32 | C30 | O31 | H33 | 122.8° | 120.0° |
C30 | C32 | CL1 | H35 | 121.3° | 120.0° |
C30 | C32 | CL1 | H36 | 121.3° | 120.0° |
C32 | C30 | C22 | H22 | 68.4° | 60.0° |
C32 | C30 | O31 | H34 | 66.1° | 60.0° |
C30 | C32 | H35 | H36 | 116.0° | 119.9° |
C17 | C16 | C15 | H17 | 180.0° | 179.9° |
C17 | C16 | C15 | H16 | 179.4° | 179.9° |
C16 | C17 | C18 | H19 | 179.2° | 179.8° |
C24 | C23 | C22 | H22 | 70.1° | 55.0° |
C24 | C23 | H23 | H24 | 118.0° | 120.1° |
C23 | C24 | H25 | H26 | 118.4° | 120.0° |
C23 | C24 | C25 | H27 | 69.1° | 60.0° |
C23 | C24 | C25 | H28 | 51.6° | 60.0° |
C15 | C16 | C17 | H18 | 179.8° | 180.0° |
O31 | C30 | C32 | CL1 | 150.0° | 65.0° |
O31 | C30 | C22 | H22 | 44.7° | 60.0° |
O31 | C30 | C32 | H35 | 88.7° | 175.0° |
O31 | C30 | C32 | H36 | 28.8° | 55.0° |
CL1 | C32 | C30 | H33 | 25.8° | 55.0° |
CL1 | C32 | H35 | H36 | 116.0° | 120.1° |
H1 | C5 | C6 | H2 | 1.2° | 0.1° |
H2 | C6 | C7 | H3 | 0.3° | 0.0° |
H3 | C7 | C8 | H4 | 0.1° | 0.0° |
H4 | C8 | C9 | H5 | 0.7° | 0.0° |
H6 | C12 | C13 | H7 | 154.6° | 175.0° |
H6 | C12 | C13 | H8 | 86.8° | 65.0° |
H6 | C12 | N11 | H15 | 119.9° | 145.0° |
H9 | N1 | C2 | H14 | 63.0° | 179.9° |
H10 | N1 | C2 | H14 | 177.0° | 56.1° |
H12 | C3 | C2 | H14 | 148.3° | 175.0° |
H13 | C3 | C2 | H14 | 32.1° | 65.1° |
H16 | C15 | C16 | H17 | 0.6° | 0.0° |
H17 | C16 | C17 | H18 | 0.3° | 0.1° |
H18 | C17 | C18 | H19 | 0.8° | 0.1° |
H19 | C18 | C19 | H20 | 0.4° | 0.0° |
H21 | N21 | C22 | H22 | 176.2° | 145.0° |
H22 | C22 | C23 | H23 | 169.2° | 175.0° |
H22 | C22 | C23 | H24 | 50.5° | 65.0° |
H22 | C22 | C30 | H33 | 169.3° | 180.0° |
H23 | C23 | C24 | H25 | 59.7° | 179.9° |
H23 | C23 | C24 | H26 | 59.3° | 60.0° |
H24 | C23 | C24 | H25 | 59.0° | 60.0° |
H24 | C23 | C24 | H26 | 178.0° | 179.9° |
H25 | C24 | C25 | H27 | 170.4° | 180.0° |
H25 | C24 | C25 | H28 | 68.9° | 60.1° |
H26 | C24 | C25 | H27 | 51.4° | 60.0° |
H26 | C24 | C25 | H28 | 172.1° | 179.9° |
H27 | C25 | N26 | H29 | 116.9° | 119.9° |
H28 | C25 | N26 | H29 | 122.5° | 120.0° |
H33 | C30 | O31 | H34 | 56.7° | 179.9° |
H33 | C30 | C32 | H35 | 147.1° | 65.0° |
H33 | C30 | C32 | H36 | 95.4° | 175.0° |