G53
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C35 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
C35 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
C36 | C37 | sing | 1.38Å | 1.43Å | Aromatic |
C34 | C33 | doub | 1.38Å | 1.41Å | Aromatic |
C37 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
C42 | N43 | sing | 1.36Å | 1.35Å | Aromatic |
C42 | C44 | sing | 1.47Å | 1.31Å | |
C42 | C41 | doub | 1.36Å | 1.34Å | Aromatic |
C33 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
O46 | C44 | sing | 1.35Å | 1.38Å | |
O46 | C47 | sing | 1.45Å | 1.44Å | |
N43 | C39 | doub | 1.31Å | 1.31Å | Aromatic |
C44 | O45 | doub | 1.22Å | 1.24Å | |
C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
C3 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
C38 | C32 | sing | 1.51Å | 1.53Å | |
C41 | O40 | sing | 1.34Å | 1.40Å | Aromatic |
C39 | O40 | sing | 1.34Å | 1.34Å | Aromatic |
C39 | C2 | sing | 1.48Å | 1.35Å | |
O9 | S8 | doub | 1.42Å | 1.49Å | |
C4 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
C2 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
C5 | S8 | sing | 1.76Å | 1.78Å | |
C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
C32 | C19 | sing | 1.53Å | 1.53Å | |
S8 | O10 | doub | 1.42Å | 1.46Å | |
S8 | N11 | sing | 1.66Å | 1.63Å | |
C30 | C29 | sing | 1.54Å | 1.53Å | |
C30 | C31 | sing | 1.57Å | 1.53Å | |
C19 | N20 | sing | 1.46Å | 1.48Å | |
C19 | C17 | sing | 1.53Å | 1.54Å | |
C29 | O28 | sing | 1.43Å | 1.43Å | |
N11 | C16 | sing | 1.46Å | 1.46Å | |
N11 | C12 | sing | 1.47Å | 1.44Å | |
C16 | C17 | sing | 1.53Å | 1.57Å | |
N20 | C21 | sing | 1.35Å | 1.32Å | |
O22 | C21 | doub | 1.22Å | 1.23Å | |
C17 | O18 | sing | 1.43Å | 1.43Å | |
C21 | O23 | sing | 1.35Å | 1.39Å | |
C31 | C27 | sing | 1.56Å | 1.52Å | |
C31 | C24 | sing | 1.54Å | 1.54Å | |
O28 | C27 | sing | 1.43Å | 1.46Å | |
C12 | C13 | sing | 1.53Å | 1.55Å | |
O23 | C24 | sing | 1.45Å | 1.43Å | |
C27 | O26 | sing | 1.44Å | 1.44Å | |
C24 | C25 | sing | 1.54Å | 1.55Å | |
C14 | C13 | sing | 1.53Å | 1.53Å | |
C13 | C15 | sing | 1.53Å | 1.52Å | |
O26 | C25 | sing | 1.44Å | 1.41Å | |
C3 | H1 | sing | 1.08Å | 1.08Å | |
C4 | H2 | sing | 1.08Å | 1.08Å | |
C6 | H3 | sing | 1.08Å | 1.08Å | |
C7 | H4 | sing | 1.08Å | 1.08Å | |
C12 | H5 | sing | 1.09Å | 1.10Å | |
C12 | H6 | sing | 1.09Å | 1.10Å | |
C13 | H7 | sing | 1.09Å | 1.10Å | |
C14 | H8 | sing | 1.09Å | 1.10Å | |
C14 | H9 | sing | 1.09Å | 1.10Å | |
C14 | H10 | sing | 1.09Å | 1.10Å | |
C15 | H11 | sing | 1.09Å | 1.10Å | |
C15 | H12 | sing | 1.09Å | 1.10Å | |
C15 | H13 | 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 | |
O18 | H17 | sing | 0.97Å | 0.95Å | |
C19 | H18 | sing | 1.09Å | 1.10Å | |
N20 | H19 | sing | 0.97Å | 1.00Å | |
C24 | H20 | sing | 1.09Å | 1.10Å | |
C25 | H21 | sing | 1.09Å | 1.10Å | |
C25 | H22 | sing | 1.09Å | 1.10Å | |
C27 | H23 | sing | 1.09Å | 1.10Å | |
C29 | H24 | sing | 1.09Å | 1.10Å | |
C29 | H25 | sing | 1.09Å | 1.10Å | |
C30 | H26 | sing | 1.09Å | 1.10Å | |
C30 | H27 | sing | 1.09Å | 1.10Å | |
C31 | H28 | sing | 1.09Å | 1.10Å | |
C32 | H29 | sing | 1.09Å | 1.10Å | |
C32 | H30 | sing | 1.09Å | 1.10Å | |
C33 | H31 | sing | 1.08Å | 1.08Å | |
C34 | H32 | sing | 1.08Å | 1.08Å | |
C35 | H33 | sing | 1.08Å | 1.08Å | |
C36 | H34 | sing | 1.08Å | 1.08Å | |
C37 | H35 | sing | 1.08Å | 1.08Å | |
C41 | H36 | sing | 1.08Å | 1.08Å | |
C47 | H37 | sing | 1.09Å | 1.10Å | |
C47 | H38 | sing | 1.09Å | 1.10Å | |
C47 | H39 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C36 | C35 | C34 | 116.6° | 120.0° |
C35 | C36 | C37 | 122.3° | 120.0° |
C36 | C35 | H33 | 121.7° | 120.0° |
C35 | C36 | H34 | 118.9° | 120.0° |
C35 | C34 | C33 | 121.5° | 120.0° |
C35 | C34 | H32 | 119.3° | 120.0° |
C34 | C35 | H33 | 121.7° | 120.0° |
C36 | C37 | C38 | 119.3° | 120.0° |
C37 | C36 | H34 | 118.9° | 120.0° |
C36 | C37 | H35 | 120.4° | 120.1° |
C34 | C33 | C38 | 121.4° | 120.0° |
C34 | C33 | H31 | 119.3° | 120.0° |
C33 | C34 | H32 | 119.2° | 120.0° |
C37 | C38 | C33 | 118.9° | 120.0° |
C37 | C38 | C32 | 119.7° | 120.0° |
C38 | C37 | H35 | 120.3° | 119.9° |
N43 | C42 | C44 | 130.4° | 126.4° |
N43 | C42 | C41 | 106.6° | 107.3° |
C42 | N43 | C39 | 113.0° | 108.4° |
C44 | C42 | C41 | 117.9° | 126.4° |
C42 | C44 | O46 | 113.2° | 120.0° |
C42 | C44 | O45 | 125.0° | 120.0° |
C42 | C41 | O40 | 105.3° | 107.1° |
C42 | C41 | H36 | 127.4° | 126.5° |
C33 | C38 | C32 | 121.4° | 120.0° |
C38 | C33 | H31 | 119.3° | 120.0° |
C44 | O46 | C47 | 105.5° | 117.0° |
O46 | C44 | O45 | 121.8° | 120.0° |
O46 | C47 | H37 | 109.5° | 109.5° |
O46 | C47 | H38 | 109.4° | 109.5° |
O46 | C47 | H39 | 109.5° | 109.5° |
N43 | C39 | O40 | 104.8° | 109.0° |
N43 | C39 | C2 | 132.7° | 125.4° |
C4 | C3 | C2 | 121.5° | 119.8° |
C3 | C4 | C5 | 119.4° | 120.2° |
C4 | C3 | H1 | 119.2° | 120.1° |
C3 | C4 | H2 | 120.3° | 119.9° |
C3 | C2 | C39 | 123.8° | 120.1° |
C3 | C2 | C7 | 118.1° | 119.8° |
C2 | C3 | H1 | 119.3° | 120.1° |
C38 | C32 | C19 | 109.7° | 109.4° |
C38 | C32 | H29 | 109.4° | 109.5° |
C38 | C32 | H30 | 109.4° | 109.5° |
C41 | O40 | C39 | 109.6° | 108.2° |
O40 | C41 | H36 | 127.3° | 126.4° |
O40 | C39 | C2 | 122.5° | 125.5° |
C39 | C2 | C7 | 118.1° | 120.1° |
O9 | S8 | C5 | 107.0° | 106.4° |
O9 | S8 | O10 | 119.1° | 123.1° |
O9 | S8 | N11 | 106.9° | 106.4° |
C4 | C5 | C6 | 119.7° | 120.3° |
C4 | C5 | S8 | 123.2° | 119.9° |
C5 | C4 | H2 | 120.3° | 119.9° |
C2 | C7 | C6 | 120.1° | 119.9° |
C2 | C7 | H4 | 120.0° | 120.1° |
C6 | C5 | S8 | 116.8° | 119.9° |
C5 | C6 | C7 | 121.0° | 120.1° |
C5 | C6 | H3 | 119.5° | 119.9° |
C5 | S8 | O10 | 106.7° | 106.4° |
C5 | S8 | N11 | 107.6° | 107.2° |
C7 | C6 | H3 | 119.5° | 120.0° |
C6 | C7 | H4 | 120.0° | 120.0° |
C32 | C19 | N20 | 108.7° | 109.5° |
C32 | C19 | C17 | 114.3° | 109.4° |
C32 | C19 | H18 | 109.0° | 109.5° |
C19 | C32 | H29 | 109.4° | 109.5° |
C19 | C32 | H30 | 109.4° | 109.5° |
O10 | S8 | N11 | 109.0° | 106.4° |
S8 | N11 | C16 | 117.4° | 120.0° |
S8 | N11 | C12 | 116.0° | 120.0° |
C29 | C30 | C31 | 103.1° | 102.8° |
C30 | C29 | O28 | 106.7° | 107.6° |
C30 | C29 | H24 | 110.2° | 109.8° |
C30 | C29 | H25 | 110.1° | 109.9° |
C29 | C30 | H26 | 111.1° | 110.8° |
C29 | C30 | H27 | 111.0° | 110.8° |
C30 | C31 | C27 | 104.5° | 100.4° |
C30 | C31 | C24 | 114.9° | 109.4° |
C31 | C30 | H26 | 111.0° | 110.7° |
C31 | C30 | H27 | 111.1° | 110.7° |
C30 | C31 | H28 | 110.3° | 113.9° |
N20 | C19 | C17 | 106.4° | 109.5° |
C19 | N20 | C21 | 125.5° | 120.0° |
N20 | C19 | H18 | 109.6° | 109.5° |
C19 | N20 | H19 | 117.3° | 120.0° |
C19 | C17 | C16 | 112.0° | 109.5° |
C19 | C17 | O18 | 110.7° | 109.5° |
C19 | C17 | H16 | 108.3° | 109.5° |
C17 | C19 | H18 | 108.9° | 109.4° |
C29 | O28 | C27 | 109.0° | 110.4° |
O28 | C29 | H24 | 110.2° | 109.8° |
O28 | C29 | H25 | 110.2° | 109.8° |
C16 | N11 | C12 | 121.7° | 120.0° |
N11 | C16 | C17 | 111.4° | 109.5° |
N11 | C16 | H14 | 109.0° | 109.5° |
N11 | C16 | H15 | 109.0° | 109.4° |
N11 | C12 | C13 | 117.1° | 109.4° |
N11 | C12 | H5 | 107.5° | 109.5° |
N11 | C12 | H6 | 107.5° | 109.5° |
C16 | C17 | O18 | 108.0° | 109.5° |
C17 | C16 | H14 | 109.0° | 109.5° |
C17 | C16 | H15 | 109.0° | 109.4° |
C16 | C17 | H16 | 108.0° | 109.5° |
N20 | C21 | O22 | 128.1° | 120.0° |
N20 | C21 | O23 | 110.0° | 120.0° |
C21 | N20 | H19 | 117.3° | 120.0° |
O22 | C21 | O23 | 121.9° | 120.0° |
O18 | C17 | H16 | 109.8° | 109.4° |
C17 | O18 | H17 | 109.5° | 113.9° |
C21 | O23 | C24 | 114.2° | 117.0° |
C27 | C31 | C24 | 106.2° | 102.7° |
C31 | C27 | O28 | 107.8° | 105.7° |
C31 | C27 | O26 | 105.5° | 104.0° |
C31 | C27 | H23 | 111.0° | 112.7° |
C27 | C31 | H28 | 110.5° | 114.5° |
C31 | C24 | O23 | 110.6° | 110.4° |
C31 | C24 | C25 | 100.4° | 104.8° |
C31 | C24 | H20 | 113.3° | 110.5° |
C24 | C31 | H28 | 110.2° | 114.5° |
O28 | C27 | O26 | 108.0° | 108.7° |
O28 | C27 | H23 | 111.9° | 112.5° |
C12 | C13 | C14 | 111.3° | 109.5° |
C12 | C13 | C15 | 109.3° | 109.5° |
C13 | C12 | H5 | 107.5° | 109.4° |
C13 | C12 | H6 | 107.5° | 109.5° |
C12 | C13 | H7 | 107.5° | 109.5° |
O23 | C24 | C25 | 103.0° | 110.4° |
O23 | C24 | H20 | 115.1° | 110.3° |
C27 | O26 | C25 | 110.2° | 107.9° |
O26 | C27 | H23 | 112.3° | 112.6° |
C24 | C25 | O26 | 104.6° | 107.4° |
C25 | C24 | H20 | 113.1° | 110.4° |
C24 | C25 | H21 | 110.7° | 109.9° |
C24 | C25 | H22 | 110.7° | 109.9° |
C14 | C13 | C15 | 112.9° | 109.4° |
C14 | C13 | H7 | 107.7° | 109.5° |
C13 | C14 | H8 | 109.5° | 109.5° |
C13 | C14 | H9 | 109.5° | 109.5° |
C13 | C14 | H10 | 109.5° | 109.5° |
C15 | C13 | H7 | 107.9° | 109.5° |
C13 | C15 | H11 | 109.5° | 109.4° |
C13 | C15 | H12 | 109.5° | 109.4° |
C13 | C15 | H13 | 109.5° | 109.4° |
O26 | C25 | H21 | 110.7° | 109.8° |
O26 | C25 | H22 | 110.7° | 109.9° |
H5 | C12 | H6 | 109.5° | 109.6° |
H8 | C14 | H9 | 109.4° | 109.5° |
H8 | C14 | H10 | 109.5° | 109.4° |
H9 | C14 | H10 | 109.5° | 109.4° |
H11 | C15 | H12 | 109.4° | 109.5° |
H11 | C15 | H13 | 109.5° | 109.5° |
H12 | C15 | H13 | 109.5° | 109.5° |
H14 | C16 | H15 | 109.4° | 109.5° |
H21 | C25 | H22 | 109.5° | 109.9° |
H24 | C29 | H25 | 109.5° | 109.9° |
H26 | C30 | H27 | 109.5° | 110.8° |
H29 | C32 | H30 | 109.5° | 109.5° |
H37 | C47 | H38 | 109.5° | 109.5° |
H37 | C47 | H39 | 109.4° | 109.4° |
H38 | C47 | H39 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C36 | C35 | C34 | H33 | 180.0° | 179.9° |
C35 | C36 | C37 | H34 | 180.0° | 180.0° |
C36 | C35 | C34 | C33 | 1.9° | 0.0° |
C35 | C36 | C37 | C38 | 0.1° | 0.1° |
C36 | C35 | C34 | H32 | 178.1° | 180.0° |
C35 | C36 | C37 | H35 | 179.9° | 180.0° |
C34 | C35 | C36 | C37 | 0.2° | 0.1° |
C35 | C34 | C33 | H32 | 180.0° | 180.0° |
C35 | C34 | C33 | C38 | 3.3° | 0.0° |
C35 | C34 | C33 | H31 | 176.7° | 179.7° |
C34 | C35 | C36 | H34 | 179.8° | 180.0° |
C36 | C37 | C38 | H35 | 180.0° | 179.9° |
C36 | C37 | C38 | C33 | 1.2° | 0.0° |
C36 | C37 | C38 | C32 | 178.2° | 179.8° |
C37 | C36 | C35 | H33 | 179.8° | 180.0° |
C34 | C33 | C38 | C37 | 2.8° | 0.0° |
C34 | C33 | C38 | H31 | 180.0° | 179.7° |
C34 | C33 | C38 | C32 | 176.5° | 179.7° |
C33 | C34 | C35 | H33 | 178.1° | 179.9° |
C37 | C38 | C33 | C32 | 179.4° | 179.7° |
C37 | C38 | C32 | C19 | 69.1° | 90.3° |
C37 | C38 | C32 | H29 | 50.9° | 149.7° |
C37 | C38 | C32 | H30 | 170.8° | 29.7° |
C37 | C38 | C33 | H31 | 177.2° | 179.7° |
C38 | C37 | C36 | H34 | 179.9° | 180.0° |
N43 | C42 | C44 | C41 | 150.7° | 179.5° |
N43 | C42 | C44 | O46 | 173.6° | 0.0° |
N43 | C42 | C44 | O45 | 5.1° | 180.0° |
N43 | C42 | C41 | O40 | 7.9° | 0.3° |
C42 | N43 | C39 | O40 | 0.9° | 0.4° |
C42 | N43 | C39 | C2 | 178.2° | 179.8° |
N43 | C42 | C41 | H36 | 172.0° | 179.7° |
C42 | C44 | O46 | O45 | 178.8° | 180.0° |
C42 | C44 | O46 | C47 | 42.2° | 180.0° |
C44 | C42 | N43 | C39 | 159.0° | 180.0° |
C44 | C42 | C41 | O40 | 165.0° | 179.9° |
C44 | C42 | C41 | H36 | 14.9° | 0.2° |
C41 | C42 | C44 | O46 | 22.9° | 179.4° |
C41 | C42 | N43 | C39 | 5.8° | 0.4° |
C41 | C42 | C44 | O45 | 155.8° | 0.5° |
C42 | C41 | O40 | H36 | 180.0° | 180.0° |
C42 | C41 | O40 | C39 | 7.8° | 0.1° |
C33 | C38 | C32 | C19 | 110.2° | 90.0° |
C33 | C38 | C32 | H29 | 129.7° | 30.0° |
C33 | C38 | C32 | H30 | 9.8° | 150.0° |
C38 | C33 | C34 | H32 | 176.7° | 180.0° |
C33 | C38 | C37 | H35 | 178.8° | 180.0° |
C44 | O46 | C47 | H37 | 180.0° | 60.0° |
C44 | O46 | C47 | H38 | 60.0° | 60.0° |
C44 | O46 | C47 | H39 | 60.0° | 180.0° |
C47 | O46 | C44 | O45 | 136.6° | 0.0° |
O46 | C47 | H37 | H38 | 120.0° | 120.0° |
O46 | C47 | H37 | H39 | 120.0° | 120.0° |
O46 | C47 | H38 | H39 | 120.0° | 120.0° |
N43 | C39 | C2 | C3 | 10.5° | 0.0° |
N43 | C39 | O40 | C41 | 4.3° | 0.2° |
N43 | C39 | O40 | C2 | 179.2° | 179.8° |
N43 | C39 | C2 | C7 | 168.3° | 179.8° |
C4 | C3 | C2 | H1 | 180.0° | 180.0° |
C4 | C3 | C2 | C39 | 175.9° | 179.7° |
C3 | C4 | C5 | H2 | 180.0° | 179.9° |
C4 | C3 | C2 | C7 | 2.9° | 0.0° |
C3 | C4 | C5 | C6 | 3.1° | 0.1° |
C3 | C4 | C5 | S8 | 176.3° | 180.0° |
C3 | C2 | C39 | O40 | 168.5° | 179.8° |
C3 | C2 | C39 | C7 | 178.8° | 179.8° |
C2 | C3 | C4 | C5 | 2.4° | 0.0° |
C3 | C2 | C7 | C6 | 4.1° | 0.0° |
C2 | C3 | C4 | H2 | 177.5° | 180.0° |
C3 | C2 | C7 | H4 | 175.9° | 180.0° |
C38 | C32 | C19 | H29 | 120.0° | 120.0° |
C38 | C32 | C19 | H30 | 120.0° | 120.0° |
C38 | C32 | C19 | N20 | 60.4° | 65.0° |
C38 | C32 | C19 | C17 | 178.9° | 175.0° |
C38 | C32 | C19 | H18 | 59.0° | 55.0° |
C38 | C32 | H29 | H30 | 119.9° | 120.0° |
C32 | C38 | C33 | H31 | 3.5° | 0.0° |
C32 | C38 | C37 | H35 | 1.8° | 0.3° |
C41 | O40 | C39 | C2 | 176.5° | 180.0° |
O40 | C39 | C2 | C7 | 12.7° | 0.0° |
C39 | O40 | C41 | H36 | 172.2° | 180.0° |
C39 | C2 | C7 | C6 | 174.8° | 179.7° |
C39 | C2 | C3 | H1 | 4.2° | 0.3° |
C39 | C2 | C7 | H4 | 5.2° | 0.2° |
O9 | S8 | C5 | C4 | 37.2° | 149.8° |
O9 | S8 | C5 | C6 | 149.4° | 30.1° |
O9 | S8 | C5 | O10 | 128.5° | 132.9° |
O9 | S8 | C5 | N11 | 114.5° | 113.5° |
O9 | S8 | O10 | N11 | 122.9° | 122.9° |
O9 | S8 | N11 | C16 | 17.2° | 29.5° |
O9 | S8 | N11 | C12 | 172.7° | 150.5° |
C4 | C5 | C6 | S8 | 173.6° | 179.9° |
C4 | C5 | C6 | C7 | 4.4° | 0.1° |
C4 | C5 | S8 | O10 | 165.7° | 16.9° |
C4 | C5 | S8 | N11 | 77.4° | 96.6° |
C5 | C4 | C3 | H1 | 177.5° | 180.0° |
C4 | C5 | C6 | H3 | 175.6° | 180.0° |
C2 | C7 | C6 | C5 | 4.9° | 0.0° |
C2 | C7 | C6 | H4 | 180.0° | 179.9° |
C7 | C2 | C3 | H1 | 177.1° | 179.9° |
C2 | C7 | C6 | H3 | 175.1° | 180.0° |
C5 | C6 | C7 | H3 | 180.0° | 179.9° |
C6 | C5 | S8 | O10 | 20.9° | 163.0° |
C6 | C5 | S8 | N11 | 96.0° | 83.4° |
C6 | C5 | C4 | H2 | 176.9° | 180.0° |
C5 | C6 | C7 | H4 | 175.1° | 179.9° |
S8 | C5 | C6 | C7 | 178.0° | 180.0° |
C5 | S8 | O10 | N11 | 115.9° | 114.1° |
C5 | S8 | N11 | C16 | 97.5° | 84.0° |
C5 | S8 | N11 | C12 | 58.0° | 95.9° |
S8 | C5 | C4 | H2 | 3.7° | 0.0° |
S8 | C5 | C6 | H3 | 2.0° | 0.1° |
C32 | C19 | N20 | C17 | 123.5° | 120.0° |
C32 | C19 | N20 | H18 | 119.0° | 120.1° |
C32 | C19 | C17 | H18 | 122.1° | 120.0° |
C32 | C19 | C17 | C16 | 69.2° | 65.0° |
C32 | C19 | N20 | C21 | 124.7° | 85.0° |
C32 | C19 | C17 | O18 | 51.4° | 55.1° |
C32 | C19 | C17 | H16 | 171.8° | 175.0° |
C32 | C19 | N20 | H19 | 55.3° | 94.9° |
C19 | C32 | H29 | H30 | 119.9° | 120.0° |
O10 | S8 | N11 | C16 | 147.1° | 162.4° |
O10 | S8 | N11 | C12 | 57.4° | 17.6° |
S8 | N11 | C16 | C12 | 154.0° | 180.0° |
S8 | N11 | C16 | C17 | 111.6° | 95.0° |
S8 | N11 | C12 | C13 | 133.9° | 114.2° |
S8 | N11 | C12 | H5 | 12.8° | 125.8° |
S8 | N11 | C12 | H6 | 105.0° | 5.8° |
S8 | N11 | C16 | H14 | 128.0° | 145.0° |
S8 | N11 | C16 | H15 | 8.7° | 24.9° |
C29 | C30 | C31 | H26 | 119.0° | 118.4° |
C29 | C30 | C31 | H27 | 119.0° | 118.3° |
C30 | C29 | O28 | H24 | 119.6° | 119.5° |
C30 | C29 | O28 | H25 | 119.5° | 119.6° |
C29 | C30 | C31 | C27 | 26.1° | 33.0° |
C29 | C30 | C31 | C24 | 89.8° | 140.5° |
C30 | C29 | O28 | C27 | 22.4° | 0.9° |
C30 | C29 | H24 | H25 | 121.3° | 121.0° |
C29 | C30 | H26 | H27 | 122.9° | 123.4° |
C29 | C30 | C31 | H28 | 144.9° | 89.9° |
C31 | C30 | C29 | O28 | 30.2° | 21.3° |
C30 | C31 | C27 | C24 | 121.9° | 112.8° |
C30 | C31 | C27 | H28 | 118.6° | 122.5° |
C30 | C31 | C24 | H28 | 125.3° | 129.2° |
C30 | C31 | C27 | O28 | 13.8° | 34.7° |
C30 | C31 | C24 | O23 | 32.0° | 30.5° |
C30 | C31 | C27 | O26 | 128.9° | 79.7° |
C30 | C31 | C24 | C25 | 140.2° | 88.3° |
C30 | C31 | C24 | H20 | 98.9° | 152.8° |
C30 | C31 | C27 | H23 | 109.1° | 158.0° |
C31 | C30 | C29 | H24 | 89.4° | 98.2° |
C31 | C30 | C29 | H25 | 149.7° | 140.8° |
C31 | C30 | H26 | H27 | 123.0° | 123.2° |
N20 | C19 | C17 | H18 | 118.0° | 120.0° |
N20 | C19 | C17 | C16 | 171.0° | 175.0° |
C19 | N20 | C21 | H19 | 180.0° | 179.9° |
C19 | N20 | C21 | O22 | 3.7° | 0.0° |
N20 | C19 | C17 | O18 | 68.5° | 65.0° |
C19 | N20 | C21 | O23 | 179.4° | 180.0° |
N20 | C19 | C17 | H16 | 51.9° | 55.0° |
N20 | C19 | C32 | H29 | 179.6° | 54.9° |
N20 | C19 | C32 | H30 | 59.7° | 175.0° |
C19 | C17 | C16 | N11 | 73.7° | 175.0° |
C19 | C17 | C16 | O18 | 122.1° | 120.0° |
C19 | C17 | C16 | H16 | 119.2° | 120.0° |
C17 | C19 | N20 | C21 | 111.8° | 155.0° |
C19 | C17 | O18 | H16 | 119.6° | 119.9° |
C19 | C17 | C16 | H14 | 165.9° | 65.0° |
C19 | C17 | C16 | H15 | 46.6° | 55.0° |
C19 | C17 | O18 | H17 | 180.0° | 60.1° |
C17 | C19 | N20 | H19 | 68.2° | 25.0° |
C17 | C19 | C32 | H29 | 61.0° | 65.0° |
C17 | C19 | C32 | H30 | 58.9° | 55.0° |
C29 | O28 | C27 | C31 | 5.3° | 23.1° |
C29 | O28 | C27 | O26 | 108.3° | 88.1° |
C29 | O28 | C27 | H23 | 127.6° | 146.5° |
O28 | C29 | H24 | H25 | 121.3° | 120.9° |
O28 | C29 | C30 | H26 | 88.8° | 139.6° |
O28 | C29 | C30 | H27 | 149.2° | 97.0° |
N11 | C16 | C17 | H14 | 120.3° | 120.0° |
N11 | C16 | C17 | H15 | 120.3° | 120.0° |
N11 | C16 | C17 | O18 | 164.1° | 65.0° |
C16 | N11 | C12 | C13 | 71.7° | 65.7° |
C16 | N11 | C12 | H5 | 167.2° | 54.2° |
C16 | N11 | C12 | H6 | 49.4° | 174.3° |
N11 | C16 | H14 | H15 | 119.1° | 120.0° |
N11 | C16 | C17 | H16 | 45.5° | 54.9° |
C12 | N11 | C16 | C17 | 94.3° | 85.0° |
N11 | C12 | C13 | H5 | 121.1° | 119.9° |
N11 | C12 | C13 | H6 | 121.1° | 120.0° |
N11 | C12 | C13 | C14 | 63.6° | 176.6° |
N11 | C12 | C13 | C15 | 171.0° | 63.4° |
N11 | C12 | H5 | H6 | 116.5° | 120.0° |
N11 | C12 | C13 | H7 | 54.2° | 56.6° |
C12 | N11 | C16 | H14 | 26.0° | 35.0° |
C12 | N11 | C16 | H15 | 145.4° | 155.0° |
C16 | C17 | O18 | H16 | 117.5° | 120.0° |
C17 | C16 | H14 | H15 | 119.1° | 120.0° |
C16 | C17 | O18 | H17 | 57.1° | 60.0° |
C16 | C17 | C19 | H18 | 52.9° | 55.0° |
N20 | C21 | O22 | O23 | 176.6° | 180.0° |
N20 | C21 | O23 | C24 | 171.8° | 180.0° |
C21 | N20 | C19 | H18 | 5.8° | 35.1° |
O22 | C21 | O23 | C24 | 11.0° | 0.1° |
O22 | C21 | N20 | H19 | 176.3° | 180.0° |
O18 | C17 | C16 | H14 | 43.8° | 55.0° |
O18 | C17 | C16 | H15 | 75.6° | 175.0° |
O18 | C17 | C19 | H18 | 173.5° | 175.1° |
C21 | O23 | C24 | C31 | 110.1° | 153.2° |
C21 | O23 | C24 | C25 | 143.3° | 91.4° |
O23 | C21 | N20 | H19 | 0.6° | 0.0° |
C21 | O23 | C24 | H20 | 19.8° | 30.9° |
C27 | C31 | C24 | H28 | 119.7° | 124.7° |
C31 | C27 | O28 | O26 | 113.5° | 111.2° |
C31 | C27 | O28 | H23 | 122.4° | 123.5° |
C27 | C31 | C24 | O23 | 83.0° | 136.5° |
C31 | C27 | O26 | H23 | 121.1° | 122.4° |
C27 | C31 | C24 | C25 | 25.3° | 17.7° |
C31 | C27 | O26 | C25 | 16.8° | 37.0° |
C27 | C31 | C24 | H20 | 146.1° | 101.2° |
C27 | C31 | C30 | H26 | 92.9° | 151.4° |
C27 | C31 | C30 | H27 | 145.1° | 85.3° |
C24 | C31 | C27 | O28 | 108.1° | 147.5° |
C31 | C24 | O23 | C25 | 106.6° | 115.4° |
C31 | C24 | O23 | H20 | 129.9° | 122.4° |
C24 | C31 | C27 | O26 | 7.1° | 33.1° |
C31 | C24 | C25 | H20 | 121.0° | 118.9° |
C31 | C24 | C25 | O26 | 35.4° | 3.4° |
C31 | C24 | C25 | H21 | 83.9° | 116.0° |
C31 | C24 | C25 | H22 | 154.6° | 123.0° |
C24 | C31 | C27 | H23 | 129.0° | 89.2° |
C24 | C31 | C30 | H26 | 151.2° | 101.1° |
C24 | C31 | C30 | H27 | 29.1° | 22.2° |
O28 | C27 | O26 | H23 | 123.9° | 125.4° |
O28 | C27 | O26 | C25 | 131.8° | 149.2° |
C27 | O28 | C29 | H24 | 97.2° | 120.4° |
C27 | O28 | C29 | H25 | 141.9° | 118.7° |
O28 | C27 | C31 | H28 | 132.4° | 87.8° |
C12 | C13 | C14 | C15 | 123.4° | 120.0° |
C12 | C13 | C14 | H7 | 117.6° | 120.1° |
C12 | C13 | C15 | H7 | 116.6° | 120.1° |
C13 | C12 | H5 | H6 | 116.6° | 120.1° |
C12 | C13 | C14 | H8 | 180.0° | 59.9° |
C12 | C13 | C14 | H9 | 60.0° | 180.0° |
C12 | C13 | C14 | H10 | 60.0° | 60.0° |
C12 | C13 | C15 | H11 | 180.0° | 67.8° |
C12 | C13 | C15 | H12 | 60.0° | 172.2° |
C12 | C13 | C15 | H13 | 60.0° | 52.2° |
O23 | C24 | C25 | H20 | 124.8° | 122.2° |
O23 | C24 | C25 | O26 | 78.8° | 115.4° |
O23 | C24 | C25 | H21 | 162.0° | 125.2° |
O23 | C24 | C25 | H22 | 40.5° | 4.2° |
O23 | C24 | C31 | H28 | 157.3° | 98.8° |
C27 | O26 | C25 | C24 | 33.7° | 25.7° |
C27 | O26 | C25 | H21 | 85.6° | 93.8° |
C27 | O26 | C25 | H22 | 152.9° | 145.2° |
O26 | C27 | C31 | H28 | 112.5° | 157.8° |
C24 | C25 | O26 | H21 | 119.2° | 119.4° |
C24 | C25 | O26 | H22 | 119.2° | 119.5° |
C24 | C25 | H21 | H22 | 122.2° | 121.0° |
C25 | C24 | C31 | H28 | 94.4° | 142.4° |
C14 | C13 | C15 | H7 | 118.9° | 120.0° |
C14 | C13 | C12 | H5 | 57.5° | 56.7° |
C14 | C13 | C12 | H6 | 175.3° | 63.4° |
C13 | C14 | H8 | H9 | 120.0° | 120.1° |
C13 | C14 | H8 | H10 | 120.0° | 120.0° |
C13 | C14 | H9 | H10 | 120.0° | 120.0° |
C14 | C13 | C15 | H11 | 55.6° | 172.3° |
C14 | C13 | C15 | H12 | 64.4° | 52.3° |
C14 | C13 | C15 | H13 | 175.6° | 67.7° |
C15 | C13 | C12 | H5 | 67.9° | 176.6° |
C15 | C13 | C12 | H6 | 49.9° | 56.5° |
C15 | C13 | C14 | H8 | 56.6° | 60.0° |
C15 | C13 | C14 | H9 | 176.6° | 60.0° |
C15 | C13 | C14 | H10 | 63.4° | 180.0° |
C13 | C15 | H11 | H12 | 120.0° | 120.0° |
C13 | C15 | H11 | H13 | 120.0° | 119.9° |
C13 | C15 | H12 | H13 | 120.0° | 120.0° |
O26 | C25 | C24 | H20 | 156.4° | 122.4° |
O26 | C25 | H21 | H22 | 122.2° | 121.1° |
C25 | O26 | C27 | H23 | 104.3° | 85.4° |
H1 | C3 | C4 | H2 | 2.5° | 0.1° |
H3 | C6 | C7 | H4 | 4.9° | 0.0° |
H5 | C12 | C13 | H7 | 175.3° | 63.3° |
H6 | C12 | C13 | H7 | 66.9° | 176.6° |
H7 | C13 | C14 | H8 | 62.4° | 180.0° |
H7 | C13 | C14 | H9 | 57.6° | 59.9° |
H7 | C13 | C14 | H10 | 177.6° | 60.0° |
H7 | C13 | C15 | H11 | 63.4° | 52.3° |
H7 | C13 | C15 | H12 | 176.6° | 67.7° |
H7 | C13 | C15 | H13 | 56.6° | 172.3° |
H8 | C14 | H9 | H10 | 120.0° | 119.9° |
H11 | C15 | H12 | H13 | 120.0° | 120.1° |
H14 | C16 | C17 | H16 | 74.9° | 175.0° |
H15 | C16 | C17 | H16 | 165.8° | 65.0° |
H16 | C17 | O18 | H17 | 60.4° | 180.0° |
H16 | C17 | C19 | H18 | 66.1° | 65.0° |
H18 | C19 | N20 | H19 | 174.2° | 145.0° |
H18 | C19 | C32 | H29 | 61.0° | 175.0° |
H18 | C19 | C32 | H30 | 179.1° | 64.9° |
H20 | C24 | C25 | H21 | 37.1° | 3.0° |
H20 | C24 | C25 | H22 | 84.4° | 118.1° |
H20 | C24 | C31 | H28 | 26.4° | 23.5° |
H23 | C27 | C31 | H28 | 9.5° | 35.6° |
H24 | C29 | C30 | H26 | 151.7° | 20.1° |
H24 | C29 | C30 | H27 | 29.6° | 143.5° |
H25 | C29 | C30 | H26 | 30.8° | 100.8° |
H25 | C29 | C30 | H27 | 91.3° | 22.6° |
H26 | C30 | C31 | H28 | 25.9° | 28.5° |
H27 | C30 | C31 | H28 | 96.2° | 151.8° |
H31 | C33 | C34 | H32 | 3.3° | 0.3° |
H32 | C34 | C35 | H33 | 1.9° | 0.1° |
H33 | C35 | C36 | H34 | 0.2° | 0.1° |
H34 | C36 | C37 | H35 | 0.1° | 0.0° |
H37 | C47 | H38 | H39 | 120.0° | 120.0° |