838
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C39 | O46 | sing | 1.43Å | 1.42Å | |
O46 | C26 | sing | 1.43Å | 1.44Å | |
C22 | C20 | sing | 1.53Å | 1.53Å | |
C20 | C21 | sing | 1.53Å | 1.53Å | |
C20 | C19 | sing | 1.53Å | 1.53Å | |
C26 | C27 | sing | 1.53Å | 1.55Å | |
C26 | C24 | sing | 1.53Å | 1.56Å | |
C25 | C24 | sing | 1.53Å | 1.53Å | |
O43 | C18 | doub | 1.21Å | 1.23Å | |
N4 | C19 | sing | 1.48Å | 1.46Å | |
N4 | C23 | sing | 1.37Å | 1.38Å | |
C27 | C28 | sing | 1.53Å | 1.54Å | |
C34 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
C34 | C33 | sing | 1.40Å | 1.40Å | Aromatic |
C24 | C23 | sing | 1.51Å | 1.54Å | |
C19 | C18 | sing | 1.51Å | 1.52Å | |
C35 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
C18 | N3 | sing | 1.36Å | 1.37Å | |
C37 | C33 | sing | 1.48Å | 1.47Å | |
C37 | C38 | doub | 1.33Å | 1.34Å | |
C28 | C38 | sing | 1.51Å | 1.51Å | |
C23 | O44 | doub | 1.21Å | 1.22Å | |
C33 | C32 | doub | 1.40Å | 1.41Å | Aromatic |
C36 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
O45 | C29 | doub | 1.21Å | 1.22Å | |
N3 | C10 | sing | 1.47Å | 1.46Å | |
C32 | C31 | sing | 1.38Å | 1.43Å | Aromatic |
N2 | N1 | sing | 1.37Å | 1.42Å | |
N2 | C8 | sing | 1.47Å | 1.48Å | |
C31 | C30 | sing | 1.50Å | 1.53Å | |
C10 | C9 | sing | 1.50Å | 1.52Å | |
C10 | C11 | sing | 1.53Å | 1.52Å | |
N1 | C9 | sing | 1.34Å | 1.37Å | |
N1 | C7 | sing | 1.47Å | 1.47Å | |
C9 | O41 | doub | 1.21Å | 1.24Å | |
C7 | C6 | sing | 1.53Å | 1.52Å | |
C29 | C8 | sing | 1.50Å | 1.52Å | |
C29 | O47 | sing | 1.34Å | 1.35Å | |
C8 | C5 | sing | 1.53Å | 1.53Å | |
C30 | O47 | sing | 1.45Å | 1.45Å | |
C30 | C40 | sing | 1.53Å | 1.52Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
N2 | H1 | sing | 1.01Å | 1.00Å | |
N3 | H2 | sing | 0.97Å | 1.00Å | |
N4 | H3 | sing | 0.97Å | 1.00Å | |
C5 | H4 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H8 | sing | 1.09Å | 1.10Å | |
C7 | H9 | sing | 1.09Å | 1.10Å | |
C8 | H10 | sing | 1.09Å | 1.10Å | |
C10 | H11 | sing | 1.09Å | 1.10Å | |
C11 | H12 | sing | 1.09Å | 1.10Å | |
C11 | H13 | sing | 1.09Å | 1.10Å | |
C11 | H14 | sing | 1.09Å | 1.10Å | |
C19 | H15 | sing | 1.09Å | 1.10Å | |
C20 | H16 | sing | 1.09Å | 1.10Å | |
C21 | H17 | sing | 1.09Å | 1.10Å | |
C21 | H18 | sing | 1.09Å | 1.10Å | |
C21 | H19 | sing | 1.09Å | 1.10Å | |
C22 | H20 | sing | 1.09Å | 1.10Å | |
C22 | H21 | sing | 1.09Å | 1.10Å | |
C22 | H22 | sing | 1.09Å | 1.10Å | |
C24 | H23 | sing | 1.09Å | 1.10Å | |
C25 | H24 | sing | 1.09Å | 1.10Å | |
C25 | H25 | sing | 1.09Å | 1.10Å | |
C25 | H26 | sing | 1.09Å | 1.10Å | |
C26 | H27 | sing | 1.09Å | 1.10Å | |
C27 | H28 | sing | 1.09Å | 1.10Å | |
C27 | H29 | sing | 1.09Å | 1.10Å | |
C28 | H30 | sing | 1.09Å | 1.10Å | |
C28 | H31 | sing | 1.09Å | 1.10Å | |
C30 | H32 | sing | 1.09Å | 1.10Å | |
C32 | H33 | sing | 1.08Å | 1.08Å | |
C34 | H34 | sing | 1.08Å | 1.08Å | |
C35 | H35 | sing | 1.08Å | 1.08Å | |
C36 | H36 | sing | 1.08Å | 1.08Å | |
C37 | H37 | sing | 1.08Å | 1.08Å | |
C38 | H38 | sing | 1.08Å | 1.08Å | |
C39 | H39 | sing | 1.09Å | 1.10Å | |
C39 | H40 | sing | 1.09Å | 1.10Å | |
C39 | H41 | sing | 1.09Å | 1.10Å | |
C40 | H42 | sing | 1.09Å | 1.10Å | |
C40 | H43 | sing | 1.09Å | 1.10Å | |
C40 | H44 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C39 | O46 | C26 | 117.2° | 114.0° |
O46 | C39 | H39 | 109.5° | 109.5° |
O46 | C39 | H40 | 109.5° | 109.5° |
O46 | C39 | H41 | 109.5° | 109.5° |
O46 | C26 | C27 | 113.8° | 109.5° |
O46 | C26 | C24 | 109.9° | 109.5° |
O46 | C26 | H27 | 105.2° | 109.5° |
C22 | C20 | C21 | 109.4° | 109.5° |
C22 | C20 | C19 | 111.7° | 109.5° |
C22 | C20 | H16 | 108.3° | 109.5° |
C20 | C22 | H20 | 109.5° | 109.5° |
C20 | C22 | H21 | 109.4° | 109.5° |
C20 | C22 | H22 | 109.5° | 109.5° |
C21 | C20 | C19 | 110.8° | 109.5° |
C21 | C20 | H16 | 108.3° | 109.5° |
C20 | C21 | H17 | 109.5° | 109.5° |
C20 | C21 | H18 | 109.5° | 109.5° |
C20 | C21 | H19 | 109.5° | 109.5° |
C20 | C19 | N4 | 115.1° | 109.7° |
C20 | C19 | C18 | 114.2° | 109.8° |
C20 | C19 | H15 | 106.2° | 109.8° |
C19 | C20 | H16 | 108.3° | 109.5° |
C27 | C26 | C24 | 118.3° | 109.3° |
C26 | C27 | C28 | 116.4° | 109.2° |
C27 | C26 | H27 | 104.1° | 109.5° |
C26 | C27 | H28 | 107.7° | 109.5° |
C26 | C27 | H29 | 107.7° | 109.5° |
C26 | C24 | C25 | 113.7° | 109.4° |
C26 | C24 | C23 | 113.5° | 109.7° |
C26 | C24 | H23 | 107.0° | 109.5° |
C24 | C26 | H27 | 104.0° | 109.5° |
C25 | C24 | C23 | 107.9° | 109.4° |
C25 | C24 | H23 | 107.2° | 109.5° |
C24 | C25 | H24 | 109.5° | 109.5° |
C24 | C25 | H25 | 109.4° | 109.4° |
C24 | C25 | H26 | 109.4° | 109.5° |
O43 | C18 | C19 | 122.0° | 120.1° |
O43 | C18 | N3 | 121.1° | 120.0° |
C19 | N4 | C23 | 123.9° | 115.0° |
N4 | C19 | C18 | 107.1° | 108.0° |
C19 | N4 | H3 | 118.1° | 122.5° |
N4 | C19 | H15 | 107.1° | 109.7° |
N4 | C23 | C24 | 114.4° | 118.7° |
N4 | C23 | O44 | 123.2° | 120.7° |
C23 | N4 | H3 | 118.0° | 122.4° |
C27 | C28 | C38 | 119.7° | 109.8° |
C28 | C27 | H28 | 107.7° | 109.5° |
C28 | C27 | H29 | 107.7° | 109.6° |
C27 | C28 | H30 | 106.9° | 109.4° |
C27 | C28 | H31 | 106.9° | 109.4° |
C35 | C34 | C33 | 119.9° | 119.8° |
C34 | C35 | C36 | 120.9° | 120.1° |
C35 | C34 | H34 | 120.1° | 120.1° |
C34 | C35 | H35 | 119.5° | 119.9° |
C34 | C33 | C37 | 119.9° | 119.9° |
C34 | C33 | C32 | 118.6° | 119.7° |
C33 | C34 | H34 | 120.1° | 120.1° |
C24 | C23 | O44 | 122.4° | 120.6° |
C23 | C24 | H23 | 107.2° | 109.4° |
C19 | C18 | N3 | 116.8° | 119.9° |
C18 | C19 | H15 | 106.4° | 109.8° |
C35 | C36 | C31 | 121.6° | 120.5° |
C36 | C35 | H35 | 119.6° | 120.0° |
C35 | C36 | H36 | 119.2° | 119.7° |
C18 | N3 | C10 | 125.3° | 116.0° |
C18 | N3 | H2 | 117.3° | 122.0° |
C33 | C37 | C38 | 125.7° | 120.2° |
C37 | C33 | C32 | 121.5° | 120.4° |
C33 | C37 | H37 | 117.2° | 120.0° |
C37 | C38 | C28 | 125.7° | 120.1° |
C38 | C37 | H37 | 117.1° | 119.7° |
C37 | C38 | H38 | 117.1° | 120.0° |
C38 | C28 | H30 | 106.9° | 109.4° |
C38 | C28 | H31 | 106.8° | 109.5° |
C28 | C38 | H38 | 117.1° | 119.9° |
C33 | C32 | C31 | 122.1° | 119.9° |
C33 | C32 | H33 | 118.9° | 120.1° |
C36 | C31 | C32 | 116.9° | 120.0° |
C36 | C31 | C30 | 121.1° | 119.9° |
C31 | C36 | H36 | 119.2° | 119.8° |
O45 | C29 | C8 | 125.2° | 118.9° |
O45 | C29 | O47 | 126.0° | 118.9° |
N3 | C10 | C9 | 113.3° | 109.7° |
N3 | C10 | C11 | 110.8° | 109.4° |
C10 | N3 | H2 | 117.3° | 122.0° |
N3 | C10 | H11 | 107.6° | 109.5° |
C32 | C31 | C30 | 122.0° | 120.1° |
C31 | C32 | H33 | 118.9° | 120.0° |
N1 | N2 | C8 | 109.9° | 110.5° |
N2 | N1 | C9 | 118.0° | 120.3° |
N2 | N1 | C7 | 113.9° | 119.4° |
N1 | N2 | H1 | 109.3° | 111.0° |
N2 | C8 | C29 | 106.8° | 109.2° |
N2 | C8 | C5 | 111.4° | 109.5° |
C8 | N2 | H1 | 109.4° | 111.0° |
N2 | C8 | H10 | 110.4° | 109.2° |
C31 | C30 | O47 | 110.7° | 111.8° |
C31 | C30 | C40 | 115.1° | 109.0° |
C31 | C30 | H32 | 108.4° | 108.9° |
C9 | C10 | C11 | 111.2° | 109.4° |
C10 | C9 | N1 | 119.4° | 120.7° |
C10 | C9 | O41 | 119.8° | 119.6° |
C9 | C10 | H11 | 106.8° | 109.4° |
C11 | C10 | H11 | 106.9° | 109.4° |
C10 | C11 | H12 | 109.5° | 109.5° |
C10 | C11 | H13 | 109.4° | 109.4° |
C10 | C11 | H14 | 109.5° | 109.5° |
C9 | N1 | C7 | 128.1° | 120.3° |
N1 | C9 | O41 | 120.7° | 119.7° |
N1 | C7 | C6 | 108.3° | 108.7° |
N1 | C7 | H8 | 109.8° | 109.6° |
N1 | C7 | H9 | 109.8° | 109.6° |
C7 | C6 | C5 | 108.7° | 110.3° |
C7 | C6 | H6 | 109.7° | 109.3° |
C7 | C6 | H7 | 109.7° | 109.2° |
C6 | C7 | H8 | 109.8° | 109.6° |
C6 | C7 | H9 | 109.8° | 109.6° |
C8 | C29 | O47 | 108.8° | 122.2° |
C29 | C8 | C5 | 108.9° | 109.4° |
C29 | C8 | H10 | 109.8° | 109.4° |
C29 | O47 | C30 | 118.2° | 116.8° |
C8 | C5 | C6 | 111.1° | 111.8° |
C8 | C5 | H4 | 109.1° | 109.0° |
C8 | C5 | H5 | 109.1° | 108.9° |
C5 | C8 | H10 | 109.6° | 110.2° |
O47 | C30 | C40 | 104.5° | 109.0° |
O47 | C30 | H32 | 109.5° | 109.0° |
C40 | C30 | H32 | 108.5° | 109.0° |
C30 | C40 | H42 | 109.5° | 109.5° |
C30 | C40 | H43 | 109.4° | 109.5° |
C30 | C40 | H44 | 109.4° | 109.4° |
C6 | C5 | H4 | 109.1° | 109.0° |
C6 | C5 | H5 | 109.1° | 109.0° |
C5 | C6 | H6 | 109.7° | 109.4° |
C5 | C6 | H7 | 109.7° | 109.3° |
H4 | C5 | H5 | 109.5° | 109.0° |
H6 | C6 | H7 | 109.5° | 109.3° |
H8 | C7 | H9 | 109.4° | 109.8° |
H12 | C11 | H13 | 109.5° | 109.4° |
H12 | C11 | H14 | 109.4° | 109.5° |
H13 | C11 | H14 | 109.5° | 109.5° |
H17 | C21 | H18 | 109.5° | 109.5° |
H17 | C21 | H19 | 109.4° | 109.5° |
H18 | C21 | H19 | 109.5° | 109.4° |
H20 | C22 | H21 | 109.5° | 109.4° |
H20 | C22 | H22 | 109.5° | 109.4° |
H21 | C22 | H22 | 109.5° | 109.5° |
H24 | C25 | H25 | 109.4° | 109.4° |
H24 | C25 | H26 | 109.5° | 109.4° |
H25 | C25 | H26 | 109.5° | 109.5° |
H28 | C27 | H29 | 109.5° | 109.6° |
H30 | C28 | H31 | 109.5° | 109.3° |
H39 | C39 | H40 | 109.4° | 109.5° |
H39 | C39 | H41 | 109.4° | 109.5° |
H40 | C39 | H41 | 109.5° | 109.5° |
H42 | C40 | H43 | 109.5° | 109.5° |
H42 | C40 | H44 | 109.5° | 109.5° |
H43 | C40 | H44 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C39 | O46 | C26 | C27 | 76.4° | 151.7° |
C39 | O46 | C26 | C24 | 148.3° | 88.5° |
C39 | O46 | C26 | H27 | 36.9° | 31.5° |
O46 | C39 | H39 | H40 | 120.0° | 120.0° |
O46 | C39 | H39 | H41 | 120.0° | 120.0° |
O46 | C39 | H40 | H41 | 120.0° | 120.0° |
O46 | C26 | C27 | C24 | 131.3° | 119.9° |
O46 | C26 | C27 | H27 | 113.9° | 120.1° |
O46 | C26 | C24 | H27 | 112.2° | 120.1° |
O46 | C26 | C24 | C25 | 57.4° | 124.9° |
O46 | C26 | C27 | C28 | 67.6° | 76.1° |
O46 | C26 | C24 | C23 | 66.4° | 115.1° |
O46 | C26 | C24 | H23 | 175.6° | 5.0° |
O46 | C26 | C27 | H28 | 53.4° | 164.0° |
O46 | C26 | C27 | H29 | 171.4° | 43.9° |
C26 | O46 | C39 | H39 | 180.0° | 175.6° |
C26 | O46 | C39 | H40 | 60.0° | 55.6° |
C26 | O46 | C39 | H41 | 60.0° | 64.4° |
C22 | C20 | C21 | C19 | 123.5° | 120.0° |
C22 | C20 | C21 | H16 | 117.9° | 120.0° |
C22 | C20 | C19 | H16 | 119.2° | 120.0° |
C22 | C20 | C19 | N4 | 48.5° | 60.0° |
C22 | C20 | C19 | C18 | 173.1° | 178.5° |
C22 | C20 | C19 | H15 | 69.9° | 60.7° |
C22 | C20 | C21 | H17 | 180.0° | 60.0° |
C22 | C20 | C21 | H18 | 60.0° | 60.0° |
C22 | C20 | C21 | H19 | 60.0° | 180.0° |
C20 | C22 | H20 | H21 | 120.0° | 120.0° |
C20 | C22 | H20 | H22 | 120.0° | 120.1° |
C20 | C22 | H21 | H22 | 120.0° | 120.0° |
C21 | C20 | C19 | H16 | 118.6° | 120.0° |
C21 | C20 | C19 | N4 | 170.7° | 180.0° |
C21 | C20 | C19 | C18 | 64.7° | 61.5° |
C21 | C20 | C19 | H15 | 52.3° | 59.3° |
C20 | C21 | H17 | H18 | 120.0° | 120.0° |
C20 | C21 | H17 | H19 | 120.0° | 120.0° |
C20 | C21 | H18 | H19 | 120.0° | 120.0° |
C21 | C20 | C22 | H20 | 180.0° | 60.0° |
C21 | C20 | C22 | H21 | 60.0° | 180.0° |
C21 | C20 | C22 | H22 | 60.0° | 60.0° |
C20 | C19 | C18 | O43 | 55.4° | 81.0° |
C20 | C19 | N4 | C18 | 128.2° | 119.6° |
C20 | C19 | N4 | H15 | 117.9° | 120.8° |
C20 | C19 | N4 | C23 | 139.3° | 137.5° |
C20 | C19 | C18 | H15 | 116.9° | 120.8° |
C20 | C19 | C18 | N3 | 127.0° | 99.0° |
C20 | C19 | N4 | H3 | 40.7° | 42.5° |
C19 | C20 | C21 | H17 | 56.5° | 60.0° |
C19 | C20 | C21 | H18 | 63.5° | 180.0° |
C19 | C20 | C21 | H19 | 176.4° | 60.0° |
C19 | C20 | C22 | H20 | 57.0° | 60.0° |
C19 | C20 | C22 | H21 | 177.0° | 60.0° |
C19 | C20 | C22 | H22 | 63.0° | 180.0° |
C27 | C26 | C24 | H27 | 114.8° | 120.0° |
C27 | C26 | C24 | C25 | 169.5° | 5.0° |
C26 | C27 | C28 | H28 | 121.0° | 119.9° |
C26 | C27 | C28 | H29 | 121.0° | 120.0° |
C27 | C26 | C24 | C23 | 66.7° | 125.0° |
C26 | C27 | C28 | C38 | 158.9° | 108.3° |
C27 | C26 | C24 | H23 | 51.3° | 114.9° |
C26 | C27 | H28 | H29 | 116.9° | 120.1° |
C26 | C27 | C28 | H30 | 79.7° | 131.6° |
C26 | C27 | C28 | H31 | 37.5° | 11.9° |
C26 | C24 | C25 | C23 | 126.8° | 120.1° |
C26 | C24 | C25 | H23 | 118.1° | 120.0° |
C26 | C24 | C23 | N4 | 48.0° | 177.1° |
C24 | C26 | C27 | C28 | 63.7° | 164.0° |
C26 | C24 | C23 | H23 | 117.9° | 120.1° |
C26 | C24 | C23 | O44 | 130.4° | 2.9° |
C26 | C24 | C25 | H24 | 180.0° | 174.2° |
C26 | C24 | C25 | H25 | 60.0° | 54.2° |
C26 | C24 | C25 | H26 | 60.0° | 65.8° |
C24 | C26 | C27 | H28 | 175.3° | 44.1° |
C24 | C26 | C27 | H29 | 57.3° | 76.0° |
C25 | C24 | C23 | N4 | 78.9° | 62.9° |
C25 | C24 | C23 | H23 | 115.2° | 119.9° |
C25 | C24 | C23 | O44 | 102.6° | 117.1° |
C24 | C25 | H24 | H25 | 120.0° | 120.0° |
C24 | C25 | H24 | H26 | 120.0° | 120.1° |
C24 | C25 | H25 | H26 | 119.9° | 120.0° |
C25 | C24 | C26 | H27 | 54.8° | 115.0° |
O43 | C18 | C19 | N4 | 73.3° | 38.6° |
O43 | C18 | C19 | N3 | 177.6° | 180.0° |
O43 | C18 | N3 | C10 | 1.2° | 4.1° |
O43 | C18 | N3 | H2 | 178.8° | 175.9° |
O43 | C18 | C19 | H15 | 172.3° | 158.2° |
C19 | N4 | C23 | H3 | 180.0° | 180.0° |
C19 | N4 | C23 | C24 | 178.7° | 178.6° |
N4 | C19 | C18 | H15 | 114.4° | 119.6° |
N4 | C19 | C18 | N3 | 104.3° | 141.4° |
C19 | N4 | C23 | O44 | 0.3° | 1.5° |
N4 | C19 | C20 | H16 | 70.7° | 60.0° |
N4 | C23 | C24 | O44 | 178.4° | 179.9° |
C23 | N4 | C19 | C18 | 92.5° | 102.9° |
C23 | N4 | C19 | H15 | 21.4° | 16.7° |
N4 | C23 | C24 | H23 | 165.9° | 57.0° |
C27 | C28 | C38 | C37 | 0.2° | 164.1° |
C27 | C28 | C38 | H30 | 121.4° | 120.0° |
C27 | C28 | C38 | H31 | 121.4° | 120.1° |
C28 | C27 | C26 | H27 | 178.4° | 44.0° |
C28 | C27 | H28 | H29 | 116.9° | 120.2° |
C27 | C28 | H30 | H31 | 115.4° | 119.8° |
C27 | C28 | C38 | H38 | 179.8° | 16.1° |
C35 | C34 | C33 | H34 | 180.0° | 179.9° |
C34 | C35 | C36 | H35 | 180.0° | 180.0° |
C35 | C34 | C33 | C37 | 180.0° | 179.6° |
C35 | C34 | C33 | C32 | 0.3° | 0.2° |
C34 | C35 | C36 | C31 | 0.9° | 0.3° |
C34 | C35 | C36 | H36 | 179.1° | 179.7° |
C33 | C34 | C35 | C36 | 0.6° | 0.7° |
C34 | C33 | C37 | C32 | 179.7° | 179.8° |
C34 | C33 | C37 | C38 | 155.7° | 172.7° |
C34 | C33 | C32 | C31 | 0.4° | 0.8° |
C34 | C33 | C32 | H33 | 179.6° | 179.3° |
C33 | C34 | C35 | H35 | 179.4° | 179.3° |
C34 | C33 | C37 | H37 | 24.4° | 8.1° |
C24 | C23 | N4 | H3 | 1.3° | 1.4° |
C23 | C24 | C25 | H24 | 53.2° | 65.7° |
C23 | C24 | C25 | H25 | 173.2° | 174.4° |
C23 | C24 | C25 | H26 | 66.8° | 54.3° |
C23 | C24 | C26 | H27 | 178.6° | 5.0° |
C19 | C18 | N3 | C10 | 176.4° | 175.9° |
C19 | C18 | N3 | H2 | 3.6° | 4.1° |
C18 | C19 | N4 | H3 | 87.5° | 77.1° |
C18 | C19 | C20 | H16 | 53.9° | 58.5° |
C35 | C36 | C31 | H36 | 180.0° | 180.0° |
C35 | C36 | C31 | C32 | 0.9° | 0.7° |
C35 | C36 | C31 | C30 | 179.8° | 178.9° |
C36 | C35 | C34 | H34 | 179.4° | 179.2° |
C18 | N3 | C10 | H2 | 180.0° | 180.0° |
C18 | N3 | C10 | C9 | 93.1° | 178.5° |
C18 | N3 | C10 | C11 | 141.2° | 58.4° |
C18 | N3 | C10 | H11 | 24.7° | 61.4° |
N3 | C18 | C19 | H15 | 10.1° | 21.8° |
C33 | C37 | C38 | H37 | 180.0° | 179.3° |
C33 | C37 | C38 | C28 | 180.0° | 179.5° |
C37 | C33 | C32 | C31 | 179.9° | 179.4° |
C37 | C33 | C32 | H33 | 0.1° | 0.5° |
C37 | C33 | C34 | H34 | 0.0° | 0.5° |
C33 | C37 | C38 | H38 | 0.0° | 0.7° |
C37 | C38 | C28 | H38 | 180.0° | 179.8° |
C38 | C37 | C33 | C32 | 24.7° | 7.2° |
C37 | C38 | C28 | H30 | 121.6° | 44.0° |
C37 | C38 | C28 | H31 | 121.3° | 75.8° |
C38 | C28 | C27 | H28 | 37.9° | 11.5° |
C38 | C28 | C27 | H29 | 80.1° | 131.7° |
C38 | C28 | H30 | H31 | 115.4° | 119.9° |
C28 | C38 | C37 | H37 | 0.0° | 0.3° |
O44 | C23 | N4 | H3 | 179.7° | 178.5° |
O44 | C23 | C24 | H23 | 12.6° | 123.0° |
C33 | C32 | C31 | C36 | 0.6° | 1.2° |
C33 | C32 | C31 | H33 | 180.0° | 179.9° |
C33 | C32 | C31 | C30 | 179.5° | 178.4° |
C32 | C33 | C34 | H34 | 179.7° | 179.7° |
C32 | C33 | C37 | H37 | 155.3° | 172.1° |
C36 | C31 | C32 | C30 | 178.9° | 179.6° |
C36 | C31 | C30 | O47 | 156.7° | 105.6° |
C36 | C31 | C30 | C40 | 85.0° | 15.0° |
C36 | C31 | C30 | H32 | 36.6° | 133.9° |
C36 | C31 | C32 | H33 | 179.4° | 178.9° |
C31 | C36 | C35 | H35 | 179.1° | 179.7° |
O45 | C29 | C8 | N2 | 53.1° | 48.1° |
O45 | C29 | C8 | O47 | 179.2° | 180.0° |
O45 | C29 | C8 | C5 | 67.3° | 71.7° |
O45 | C29 | O47 | C30 | 0.3° | 9.3° |
O45 | C29 | C8 | H10 | 172.7° | 167.5° |
N3 | C10 | C9 | C11 | 125.5° | 120.0° |
N3 | C10 | C9 | H11 | 118.3° | 120.1° |
N3 | C10 | C11 | H11 | 116.9° | 119.9° |
N3 | C10 | C9 | N1 | 149.1° | 115.2° |
N3 | C10 | C9 | O41 | 32.8° | 64.7° |
N3 | C10 | C11 | H12 | 180.0° | 61.3° |
N3 | C10 | C11 | H13 | 60.0° | 178.7° |
N3 | C10 | C11 | H14 | 60.0° | 58.7° |
C32 | C31 | C30 | O47 | 24.4° | 74.9° |
C32 | C31 | C30 | C40 | 93.8° | 164.5° |
C32 | C31 | C30 | H32 | 144.5° | 45.7° |
C32 | C31 | C36 | H36 | 179.1° | 179.3° |
N1 | N2 | C8 | H1 | 120.0° | 123.6° |
N2 | N1 | C9 | C10 | 1.1° | 7.1° |
N2 | N1 | C9 | C7 | 179.2° | 179.1° |
N2 | N1 | C9 | O41 | 179.2° | 172.8° |
N2 | N1 | C7 | C6 | 63.0° | 41.6° |
N1 | N2 | C8 | C29 | 173.4° | 177.1° |
N1 | N2 | C8 | C5 | 54.6° | 63.1° |
N2 | N1 | C7 | H8 | 177.1° | 78.1° |
N2 | N1 | C7 | H9 | 56.8° | 161.3° |
N1 | N2 | C8 | H10 | 67.3° | 57.6° |
C8 | N2 | N1 | C9 | 119.2° | 161.4° |
C8 | N2 | N1 | C7 | 61.4° | 17.7° |
N2 | C8 | C29 | C5 | 120.4° | 119.9° |
N2 | C8 | C29 | H10 | 119.7° | 119.4° |
N2 | C8 | C29 | O47 | 126.2° | 131.9° |
N2 | C8 | C5 | H10 | 122.4° | 120.1° |
N2 | C8 | C5 | C6 | 52.9° | 45.5° |
N2 | C8 | C5 | H4 | 67.4° | 166.0° |
N2 | C8 | C5 | H5 | 173.1° | 75.0° |
C31 | C30 | O47 | C29 | 71.4° | 151.0° |
C31 | C30 | O47 | C40 | 124.5° | 120.6° |
C31 | C30 | O47 | H32 | 119.4° | 120.5° |
C31 | C30 | C40 | H32 | 121.6° | 118.8° |
C30 | C31 | C32 | H33 | 0.5° | 1.5° |
C30 | C31 | C36 | H36 | 0.2° | 1.1° |
C31 | C30 | C40 | H42 | 180.0° | 177.8° |
C31 | C30 | C40 | H43 | 60.0° | 57.7° |
C31 | C30 | C40 | H44 | 60.0° | 62.3° |
C9 | C10 | C11 | H11 | 116.2° | 119.9° |
C10 | C9 | N1 | O41 | 178.1° | 179.9° |
C10 | C9 | N1 | C7 | 179.7° | 173.7° |
C9 | C10 | N3 | H2 | 86.9° | 1.5° |
C9 | C10 | C11 | H12 | 53.1° | 58.9° |
C9 | C10 | C11 | H13 | 173.1° | 61.0° |
C9 | C10 | C11 | H14 | 66.9° | 178.9° |
C11 | C10 | C9 | N1 | 85.5° | 4.8° |
C11 | C10 | C9 | O41 | 92.7° | 175.3° |
C11 | C10 | N3 | H2 | 38.8° | 121.6° |
C10 | C11 | H12 | H13 | 120.0° | 119.9° |
C10 | C11 | H12 | H14 | 120.0° | 120.0° |
C10 | C11 | H13 | H14 | 120.0° | 120.0° |
C9 | N1 | C7 | C6 | 117.7° | 139.3° |
C9 | N1 | N2 | H1 | 120.7° | 75.0° |
C9 | N1 | C7 | H8 | 2.1° | 101.0° |
C9 | N1 | C7 | H9 | 122.4° | 19.5° |
N1 | C9 | C10 | H11 | 30.8° | 124.6° |
C7 | N1 | C9 | O41 | 1.6° | 6.4° |
N1 | C7 | C6 | H8 | 119.8° | 119.7° |
N1 | C7 | C6 | H9 | 119.8° | 119.8° |
N1 | C7 | C6 | C5 | 57.1° | 55.3° |
C7 | N1 | N2 | H1 | 58.6° | 105.8° |
N1 | C7 | C6 | H6 | 62.8° | 65.0° |
N1 | C7 | C6 | H7 | 177.0° | 175.5° |
N1 | C7 | H8 | H9 | 120.5° | 120.4° |
O41 | C9 | C10 | H11 | 151.1° | 55.4° |
C7 | C6 | C5 | C8 | 53.8° | 12.6° |
C7 | C6 | C5 | H6 | 119.9° | 120.2° |
C7 | C6 | C5 | H7 | 119.9° | 120.1° |
C7 | C6 | C5 | H4 | 66.4° | 108.0° |
C7 | C6 | C5 | H5 | 174.1° | 133.1° |
C7 | C6 | H6 | H7 | 120.3° | 119.5° |
C6 | C7 | H8 | H9 | 120.5° | 120.4° |
C29 | C8 | C5 | H10 | 120.1° | 120.2° |
C8 | C29 | O47 | C30 | 178.9° | 170.7° |
C29 | C8 | C5 | C6 | 170.4° | 165.2° |
C29 | C8 | N2 | H1 | 53.3° | 59.3° |
C29 | C8 | C5 | H4 | 50.2° | 74.3° |
C29 | C8 | C5 | H5 | 69.4° | 44.6° |
O47 | C29 | C8 | C5 | 113.5° | 108.2° |
C29 | O47 | C30 | C40 | 164.0° | 88.4° |
O47 | C29 | C8 | H10 | 6.5° | 12.5° |
C29 | O47 | C30 | H32 | 48.0° | 30.5° |
C8 | C5 | C6 | H4 | 120.2° | 120.6° |
C8 | C5 | C6 | H5 | 120.2° | 120.5° |
C5 | C8 | N2 | H1 | 65.4° | 60.5° |
C8 | C5 | H4 | H5 | 119.3° | 118.9° |
C8 | C5 | C6 | H6 | 66.1° | 107.7° |
C8 | C5 | C6 | H7 | 173.7° | 132.7° |
O47 | C30 | C40 | H32 | 116.7° | 118.9° |
O47 | C30 | C40 | H42 | 58.3° | 59.9° |
O47 | C30 | C40 | H43 | 178.4° | 180.0° |
O47 | C30 | C40 | H44 | 61.7° | 60.0° |
C30 | C40 | H42 | H43 | 120.0° | 120.1° |
C30 | C40 | H42 | H44 | 120.0° | 120.0° |
C30 | C40 | H43 | H44 | 120.0° | 119.9° |
C6 | C5 | H4 | H5 | 119.3° | 118.9° |
C5 | C6 | H6 | H7 | 120.4° | 119.7° |
C5 | C6 | C7 | H8 | 177.0° | 64.4° |
C5 | C6 | C7 | H9 | 62.7° | 175.1° |
C6 | C5 | C8 | H10 | 69.5° | 74.6° |
H1 | N2 | C8 | H10 | 172.6° | 178.8° |
H2 | N3 | C10 | H11 | 155.3° | 118.6° |
H3 | N4 | C19 | H15 | 158.6° | 163.3° |
H4 | C5 | C6 | H6 | 173.7° | 131.7° |
H4 | C5 | C6 | H7 | 53.5° | 12.1° |
H4 | C5 | C8 | H10 | 170.2° | 46.0° |
H5 | C5 | C6 | H6 | 54.2° | 12.8° |
H5 | C5 | C6 | H7 | 66.1° | 106.8° |
H5 | C5 | C8 | H10 | 50.7° | 164.9° |
H6 | C6 | C7 | H8 | 57.1° | 175.3° |
H6 | C6 | C7 | H9 | 177.4° | 54.8° |
H7 | C6 | C7 | H8 | 63.2° | 55.8° |
H7 | C6 | C7 | H9 | 57.1° | 64.7° |
H11 | C10 | C11 | H12 | 63.1° | 178.8° |
H11 | C10 | C11 | H13 | 56.9° | 58.8° |
H11 | C10 | C11 | H14 | 176.9° | 61.2° |
H12 | C11 | H13 | H14 | 120.0° | 120.0° |
H15 | C19 | C20 | H16 | 170.9° | 179.3° |
H16 | C20 | C21 | H17 | 62.1° | 180.0° |
H16 | C20 | C21 | H18 | 177.9° | 60.0° |
H16 | C20 | C21 | H19 | 57.8° | 60.0° |
H16 | C20 | C22 | H20 | 62.2° | 180.0° |
H16 | C20 | C22 | H21 | 57.8° | 60.0° |
H16 | C20 | C22 | H22 | 177.8° | 60.0° |
H17 | C21 | H18 | H19 | 119.9° | 120.0° |
H20 | C22 | H21 | H22 | 120.0° | 119.9° |
H23 | C24 | C25 | H24 | 61.9° | 54.2° |
H23 | C24 | C25 | H25 | 58.1° | 65.8° |
H23 | C24 | C25 | H26 | 178.0° | 174.2° |
H23 | C24 | C26 | H27 | 63.4° | 125.1° |
H24 | C25 | H25 | H26 | 120.0° | 120.0° |
H27 | C26 | C27 | H28 | 60.6° | 75.9° |
H27 | C26 | C27 | H29 | 57.4° | 164.0° |
H28 | C27 | C28 | H30 | 159.3° | 108.5° |
H28 | C27 | C28 | H31 | 83.5° | 131.7° |
H29 | C27 | C28 | H30 | 41.3° | 11.6° |
H29 | C27 | C28 | H31 | 158.5° | 108.1° |
H30 | C28 | C38 | H38 | 58.4° | 136.1° |
H31 | C28 | C38 | H38 | 58.7° | 104.0° |
H32 | C30 | C40 | H42 | 58.4° | 58.9° |
H32 | C30 | C40 | H43 | 61.6° | 61.1° |
H32 | C30 | C40 | H44 | 178.4° | 178.9° |
H34 | C34 | C35 | H35 | 0.6° | 0.8° |
H35 | C35 | C36 | H36 | 0.9° | 0.2° |
H37 | C37 | C38 | H38 | 179.9° | 179.9° |
H39 | C39 | H40 | H41 | 119.9° | 120.0° |
H42 | C40 | H43 | H44 | 120.0° | 120.0° |