55X
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O49 | C50 | doub | 1.21Å | 1.23Å | |
C69 | C68 | sing | 1.53Å | 1.54Å | |
C55 | C64 | sing | 1.53Å | 1.53Å | |
C55 | C54 | sing | 1.53Å | 1.53Å | |
C61 | C62 | sing | 1.55Å | 1.54Å | |
C61 | C75 | sing | 1.53Å | 1.52Å | |
C62 | C76 | sing | 1.55Å | 1.54Å | |
C64 | C76 | sing | 1.53Å | 1.54Å | |
C64 | C63 | sing | 1.53Å | 1.53Å | |
C53 | C54 | sing | 1.53Å | 1.53Å | |
C53 | C52 | sing | 1.53Å | 1.53Å | |
C50 | C52 | sing | 1.51Å | 1.53Å | |
C50 | S48 | sing | 1.71Å | 1.75Å | |
C76 | C68 | sing | 1.53Å | 1.53Å | |
C68 | C75 | sing | 1.55Å | 1.50Å | |
C68 | C77 | sing | 1.52Å | 1.52Å | |
C08 | S48 | sing | 1.81Å | 1.83Å | |
C75 | C73 | sing | 1.52Å | 1.51Å | |
C73 | C72 | sing | 1.53Å | 1.50Å | |
C73 | C74 | sing | 1.54Å | 1.52Å | |
C72 | C59 | sing | 1.53Å | 1.52Å | |
C52 | C51 | sing | 1.53Å | 1.53Å | |
C59 | C65 | sing | 1.52Å | 1.40Å | |
C67 | C66 | sing | 1.53Å | 1.53Å | |
C77 | C60 | sing | 1.54Å | 1.53Å | |
C60 | C74 | sing | 1.53Å | 1.54Å | |
C74 | C66 | sing | 1.53Å | 1.54Å | |
C65 | C66 | sing | 1.50Å | 1.43Å | |
C65 | C58 | doub | 1.33Å | 1.40Å | |
C66 | C56 | sing | 1.52Å | 1.54Å | |
C58 | C70 | sing | 1.47Å | 1.39Å | |
C56 | C57 | sing | 1.53Å | 1.54Å | |
C70 | C57 | sing | 1.52Å | 1.41Å | |
C70 | O71 | doub | 1.21Å | 1.23Å | |
C08 | H1 | sing | 1.09Å | 1.10Å | |
C08 | H2 | sing | 1.09Å | 1.10Å | |
C52 | H4 | sing | 1.09Å | 1.10Å | |
C53 | H5 | sing | 1.09Å | 1.10Å | |
C53 | H6 | sing | 1.09Å | 1.10Å | |
C54 | H7 | sing | 1.09Å | 1.10Å | |
C54 | H8 | sing | 1.09Å | 1.10Å | |
C55 | H9 | sing | 1.09Å | 1.10Å | |
C55 | H10 | sing | 1.09Å | 1.10Å | |
C56 | H11 | sing | 1.09Å | 1.10Å | |
C56 | H12 | sing | 1.09Å | 1.10Å | |
C57 | H13 | sing | 1.09Å | 1.10Å | |
C57 | H14 | sing | 1.09Å | 1.10Å | |
C60 | H15 | sing | 1.09Å | 1.10Å | |
C60 | H16 | sing | 1.09Å | 1.10Å | |
C61 | H17 | sing | 1.09Å | 1.10Å | |
C61 | H18 | sing | 1.09Å | 1.10Å | |
C62 | H19 | sing | 1.09Å | 1.10Å | |
C62 | H20 | sing | 1.09Å | 1.10Å | |
C63 | H21 | sing | 1.09Å | 1.10Å | |
C63 | H22 | sing | 1.09Å | 1.10Å | |
C63 | H23 | sing | 1.09Å | 1.10Å | |
C64 | H24 | sing | 1.09Å | 1.10Å | |
C67 | H26 | sing | 1.09Å | 1.10Å | |
C67 | H27 | sing | 1.09Å | 1.10Å | |
C67 | H28 | sing | 1.09Å | 1.10Å | |
C69 | H29 | sing | 1.09Å | 1.10Å | |
C69 | H30 | sing | 1.09Å | 1.10Å | |
C69 | H31 | sing | 1.09Å | 1.10Å | |
C72 | H32 | sing | 1.09Å | 1.10Å | |
C72 | H33 | sing | 1.09Å | 1.10Å | |
C73 | H34 | sing | 1.09Å | 1.10Å | |
C74 | H35 | sing | 1.09Å | 1.10Å | |
C75 | H36 | sing | 1.09Å | 1.10Å | |
C76 | H37 | sing | 1.09Å | 1.10Å | |
C77 | H38 | sing | 1.09Å | 1.10Å | |
C77 | H39 | sing | 1.09Å | 1.10Å | |
C58 | H40 | sing | 1.08Å | 1.08Å | |
C59 | H42 | sing | 1.09Å | 1.10Å | |
C59 | H43 | sing | 1.09Å | 1.10Å | |
C51 | H44 | sing | 1.09Å | 1.10Å | |
C51 | H45 | sing | 1.09Å | 1.10Å | |
C51 | H46 | sing | 1.09Å | 1.10Å | |
C08 | C1 | sing | 1.53Å | 146.35Å | |
C1 | N1 | sing | 1.46Å | 0.00Å | |
N1 | C2 | sing | 1.35Å | 0.00Å | |
C2 | O1 | doub | 1.21Å | 0.00Å | |
C2 | C3 | sing | 1.51Å | 0.00Å | |
C3 | C4 | sing | 1.53Å | 0.00Å | |
C4 | N2 | sing | 1.47Å | 0.00Å | |
N2 | C5 | sing | 1.35Å | 0.00Å | |
C5 | O3 | doub | 1.21Å | 0.00Å | |
C5 | C7 | sing | 1.51Å | 0.00Å | |
C7 | O2 | sing | 1.43Å | 0.00Å | |
C7 | C6 | sing | 1.53Å | 0.00Å | |
C6 | C8 | sing | 1.53Å | 0.00Å | |
C6 | C9 | sing | 1.53Å | 0.00Å | |
C1 | H3 | sing | 1.09Å | 0.00Å | |
C1 | H25 | sing | 1.09Å | 0.00Å | |
N1 | H41 | sing | 0.97Å | 0.00Å | |
C3 | H47 | sing | 1.09Å | 0.00Å | |
C3 | H48 | sing | 1.09Å | 0.00Å | |
C4 | H49 | sing | 1.09Å | 0.00Å | |
C4 | H50 | sing | 1.09Å | 0.00Å | |
N2 | H51 | sing | 0.97Å | 0.00Å | |
C7 | H52 | sing | 1.09Å | 0.00Å | |
O2 | H53 | sing | 0.97Å | 0.00Å | |
C8 | H55 | sing | 1.09Å | 0.00Å | |
C8 | H56 | sing | 1.09Å | 0.00Å | |
C9 | H58 | sing | 1.09Å | 0.00Å | |
C9 | H59 | sing | 1.09Å | 0.00Å | |
C9 | H60 | sing | 1.09Å | 0.00Å | |
C8 | O4 | sing | 1.43Å | 0.00Å | |
O4 | P1 | sing | 1.61Å | 0.00Å | |
P1 | O7 | sing | 1.61Å | 0.00Å | |
C6 | C13 | sing | 1.53Å | 0.00Å | |
P1 | O5 | sing | 1.61Å | 0.00Å | |
P1 | O6 | doub | 1.48Å | 0.00Å | |
C13 | H57 | sing | 1.09Å | 0.00Å | |
C13 | H61 | sing | 1.09Å | 0.00Å | |
C13 | H62 | sing | 1.09Å | 0.00Å | |
O5 | H63 | sing | 0.97Å | 0.00Å | |
O7 | C10 | sing | 1.43Å | 0.00Å | |
C10 | C11 | sing | 1.53Å | 0.00Å | |
C11 | C12 | sing | 1.54Å | 0.00Å | |
C12 | C14 | sing | 1.55Å | 0.00Å | |
C14 | C15 | sing | 1.55Å | 0.00Å | |
C15 | O8 | sing | 1.44Å | 0.00Å | |
O8 | C11 | sing | 1.44Å | 0.00Å | |
C10 | H54 | sing | 1.09Å | 0.00Å | |
C10 | H64 | sing | 1.09Å | 0.00Å | |
C11 | H65 | sing | 1.09Å | 0.00Å | |
C12 | H66 | sing | 1.09Å | 0.00Å | |
C14 | H68 | sing | 1.09Å | 0.00Å | |
C15 | H70 | sing | 1.09Å | 0.00Å | |
C12 | O10 | sing | 1.43Å | 0.00Å | |
C14 | O9 | sing | 1.43Å | 0.00Å | |
C15 | N3 | sing | 1.47Å | 0.00Å | |
O10 | P2 | sing | 1.61Å | 0.00Å | |
P2 | O13 | sing | 1.61Å | 0.00Å | |
P2 | O11 | doub | 1.48Å | 0.00Å | |
P2 | O12 | sing | 1.61Å | 0.00Å | |
O9 | H67 | sing | 0.97Å | 0.00Å | |
O13 | H73 | sing | 0.97Å | 0.00Å | |
O12 | H74 | sing | 0.97Å | 0.00Å | |
N3 | C16 | sing | 1.36Å | 0.00Å | Aromatic |
C16 | N4 | doub | 1.30Å | 0.00Å | Aromatic |
N4 | C19 | sing | 1.35Å | 0.00Å | Aromatic |
C19 | C20 | doub | 1.41Å | 0.00Å | Aromatic |
C20 | N3 | sing | 1.37Å | 0.00Å | Aromatic |
C16 | H69 | sing | 1.08Å | 0.00Å | |
C20 | N5 | sing | 1.33Å | 0.00Å | Aromatic |
N5 | C18 | doub | 1.32Å | 0.00Å | Aromatic |
C18 | N6 | sing | 1.32Å | 0.00Å | Aromatic |
N6 | C22 | doub | 1.33Å | 0.00Å | Aromatic |
C22 | C19 | sing | 1.41Å | 0.00Å | Aromatic |
C18 | H75 | sing | 1.08Å | 0.00Å | |
C22 | N7 | sing | 1.38Å | 0.00Å | |
N7 | H71 | sing | 0.97Å | 0.00Å | |
N7 | H72 | sing | 0.97Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O49 | C50 | C52 | 120.8° | 120.0° |
O49 | C50 | S48 | 123.8° | 120.0° |
C69 | C68 | C76 | 111.6° | 109.9° |
C69 | C68 | C75 | 111.9° | 109.8° |
C69 | C68 | C77 | 110.4° | 109.8° |
C68 | C69 | H29 | 109.5° | 109.5° |
C68 | C69 | H30 | 109.5° | 109.5° |
C68 | C69 | H31 | 109.5° | 109.5° |
C64 | C55 | C54 | 111.6° | 109.5° |
C55 | C64 | C76 | 109.4° | 109.4° |
C55 | C64 | C63 | 108.9° | 109.5° |
C64 | C55 | H9 | 108.9° | 109.5° |
C64 | C55 | H10 | 108.9° | 109.5° |
C55 | C64 | H24 | 109.1° | 109.5° |
C55 | C54 | C53 | 107.5° | 109.5° |
C55 | C54 | H7 | 110.0° | 109.5° |
C55 | C54 | H8 | 109.9° | 109.5° |
C54 | C55 | H9 | 108.9° | 109.5° |
C54 | C55 | H10 | 108.9° | 109.5° |
C62 | C61 | C75 | 101.9° | 102.9° |
C61 | C62 | C76 | 105.8° | 106.4° |
C62 | C61 | H17 | 111.4° | 110.7° |
C62 | C61 | H18 | 111.3° | 110.8° |
C61 | C62 | H19 | 110.4° | 110.1° |
C61 | C62 | H20 | 110.4° | 110.1° |
C61 | C75 | C68 | 101.4° | 101.7° |
C61 | C75 | C73 | 114.4° | 115.7° |
C75 | C61 | H17 | 111.3° | 110.7° |
C75 | C61 | H18 | 111.3° | 110.7° |
C61 | C75 | H36 | 109.7° | 110.4° |
C62 | C76 | C64 | 109.7° | 110.3° |
C62 | C76 | C68 | 102.3° | 105.3° |
C76 | C62 | H19 | 110.4° | 110.0° |
C76 | C62 | H20 | 110.4° | 110.1° |
C62 | C76 | H37 | 110.0° | 110.3° |
C76 | C64 | C63 | 111.2° | 109.5° |
C64 | C76 | C68 | 114.4° | 110.3° |
C76 | C64 | H24 | 109.0° | 109.5° |
C64 | C76 | H37 | 110.0° | 110.3° |
C64 | C63 | H21 | 109.5° | 109.5° |
C64 | C63 | H22 | 109.5° | 109.5° |
C64 | C63 | H23 | 109.5° | 109.5° |
C63 | C64 | H24 | 109.1° | 109.5° |
C54 | C53 | C52 | 111.5° | 109.5° |
C54 | C53 | H5 | 109.0° | 109.4° |
C54 | C53 | H6 | 109.0° | 109.5° |
C53 | C54 | H7 | 110.0° | 109.4° |
C53 | C54 | H8 | 110.0° | 109.4° |
C53 | C52 | C50 | 108.4° | 109.5° |
C53 | C52 | C51 | 109.5° | 109.5° |
C53 | C52 | H4 | 109.9° | 109.5° |
C52 | C53 | H5 | 109.0° | 109.5° |
C52 | C53 | H6 | 108.9° | 109.5° |
C52 | C50 | S48 | 115.4° | 120.0° |
C50 | C52 | C51 | 109.1° | 109.5° |
C50 | C52 | H4 | 109.9° | 109.5° |
C50 | S48 | C08 | 100.0° | 100.0° |
C76 | C68 | C75 | 98.7° | 103.3° |
C76 | C68 | C77 | 115.6° | 116.5° |
C68 | C76 | H37 | 110.2° | 110.3° |
C75 | C68 | C77 | 108.2° | 107.1° |
C68 | C75 | C73 | 111.3° | 107.1° |
C68 | C75 | H36 | 109.9° | 110.5° |
C68 | C77 | C60 | 109.0° | 107.1° |
C68 | C77 | H38 | 109.6° | 109.9° |
C68 | C77 | H39 | 109.6° | 109.9° |
S48 | C08 | H1 | 108.9° | 109.5° |
S48 | C08 | H2 | 108.9° | 109.5° |
S48 | C08 | C1 | 112.0° | 109.5° |
C75 | C73 | C72 | 109.2° | 109.7° |
C75 | C73 | C74 | 107.0° | 107.6° |
C75 | C73 | H34 | 111.0° | 110.4° |
C73 | C75 | H36 | 109.7° | 111.0° |
C72 | C73 | C74 | 107.5° | 109.0° |
C73 | C72 | C59 | 109.9° | 109.2° |
C73 | C72 | H32 | 109.4° | 109.5° |
C73 | C72 | H33 | 109.4° | 109.5° |
C72 | C73 | H34 | 111.1° | 110.0° |
C73 | C74 | C60 | 108.6° | 111.8° |
C73 | C74 | C66 | 113.1° | 109.2° |
C74 | C73 | H34 | 110.9° | 110.0° |
C73 | C74 | H35 | 108.0° | 108.6° |
C72 | C59 | C65 | 112.7° | 108.7° |
C59 | C72 | H32 | 109.4° | 109.5° |
C59 | C72 | H33 | 109.4° | 109.5° |
C72 | C59 | H42 | 108.7° | 109.6° |
C72 | C59 | H43 | 108.6° | 109.6° |
C51 | C52 | H4 | 109.9° | 109.5° |
C52 | C51 | H44 | 109.5° | 109.5° |
C52 | C51 | H45 | 109.5° | 109.5° |
C52 | C51 | H46 | 109.5° | 109.5° |
C59 | C65 | C66 | 120.1° | 118.7° |
C59 | C65 | C58 | 115.9° | 117.8° |
C65 | C59 | H42 | 108.6° | 109.5° |
C65 | C59 | H43 | 108.7° | 109.6° |
C67 | C66 | C74 | 110.0° | 107.3° |
C67 | C66 | C65 | 108.1° | 108.0° |
C67 | C66 | C56 | 108.5° | 108.0° |
C66 | C67 | H26 | 109.5° | 109.4° |
C66 | C67 | H27 | 109.5° | 109.5° |
C66 | C67 | H28 | 109.5° | 109.4° |
C77 | C60 | C74 | 109.5° | 111.7° |
C77 | C60 | H15 | 109.5° | 109.0° |
C77 | C60 | H16 | 109.5° | 109.0° |
C60 | C77 | H38 | 109.6° | 109.9° |
C60 | C77 | H39 | 109.6° | 109.9° |
C60 | C74 | C66 | 111.5° | 109.1° |
C74 | C60 | H15 | 109.5° | 109.0° |
C74 | C60 | H16 | 109.5° | 109.1° |
C60 | C74 | H35 | 107.8° | 109.0° |
C74 | C66 | C65 | 110.6° | 109.9° |
C74 | C66 | C56 | 106.2° | 109.3° |
C66 | C74 | H35 | 107.7° | 109.0° |
C66 | C65 | C58 | 122.0° | 123.5° |
C65 | C66 | C56 | 113.4° | 114.1° |
C65 | C58 | C70 | 119.3° | 120.1° |
C65 | C58 | H40 | 120.3° | 120.0° |
C66 | C56 | C57 | 111.7° | 111.6° |
C66 | C56 | H11 | 108.9° | 109.0° |
C66 | C56 | H12 | 108.9° | 109.0° |
C58 | C70 | C57 | 121.2° | 116.5° |
C58 | C70 | O71 | 118.1° | 121.8° |
C70 | C58 | H40 | 120.3° | 119.9° |
C56 | C57 | C70 | 112.3° | 107.4° |
C57 | C56 | H11 | 108.9° | 109.0° |
C57 | C56 | H12 | 108.9° | 109.1° |
C56 | C57 | H13 | 108.7° | 109.8° |
C56 | C57 | H14 | 108.7° | 109.8° |
C57 | C70 | O71 | 120.7° | 121.7° |
C70 | C57 | H13 | 108.8° | 109.9° |
C70 | C57 | H14 | 108.8° | 110.0° |
H1 | C08 | H2 | 109.5° | 109.4° |
H1 | C08 | C1 | 108.8° | 109.4° |
H2 | C08 | C1 | 108.8° | 109.5° |
H5 | C53 | H6 | 109.5° | 109.5° |
H7 | C54 | H8 | 109.5° | 109.5° |
H9 | C55 | H10 | 109.5° | 109.4° |
H11 | C56 | H12 | 109.5° | 109.0° |
H13 | C57 | H14 | 109.5° | 109.9° |
H15 | C60 | H16 | 109.4° | 109.0° |
H17 | C61 | H18 | 109.5° | 110.8° |
H19 | C62 | H20 | 109.5° | 110.1° |
H21 | C63 | H22 | 109.4° | 109.5° |
H21 | C63 | H23 | 109.4° | 109.4° |
H22 | C63 | H23 | 109.5° | 109.4° |
H26 | C67 | H27 | 109.5° | 109.5° |
H26 | C67 | H28 | 109.4° | 109.5° |
H27 | C67 | H28 | 109.5° | 109.5° |
H29 | C69 | H30 | 109.5° | 109.5° |
H29 | C69 | H31 | 109.5° | 109.5° |
H30 | C69 | H31 | 109.4° | 109.4° |
H32 | C72 | H33 | 109.5° | 109.5° |
H38 | C77 | H39 | 109.5° | 110.0° |
H42 | C59 | H43 | 109.5° | 109.8° |
H44 | C51 | H45 | 109.5° | 109.4° |
H44 | C51 | H46 | 109.4° | 109.4° |
H45 | C51 | H46 | 109.5° | 109.5° |
C08 | C1 | N1 | 90.0° | 109.5° |
C08 | C1 | H3 | 90.0° | 109.4° |
C08 | C1 | H25 | 90.0° | 109.5° |
C1 | N1 | C2 | 90.0° | 120.0° |
N1 | C1 | H3 | 90.0° | 109.5° |
N1 | C1 | H25 | 90.0° | 109.5° |
C1 | N1 | H41 | 90.0° | 120.0° |
N1 | C2 | O1 | 90.0° | 120.0° |
N1 | C2 | C3 | 90.0° | 120.0° |
C2 | N1 | H41 | 90.0° | 120.0° |
O1 | C2 | C3 | 90.0° | 120.0° |
C2 | C3 | C4 | 90.0° | 109.5° |
C2 | C3 | H47 | 90.0° | 109.5° |
C2 | C3 | H48 | 90.0° | 109.5° |
C3 | C4 | N2 | 90.0° | 109.4° |
C4 | C3 | H47 | 90.0° | 109.5° |
C4 | C3 | H48 | 90.0° | 109.4° |
C3 | C4 | H49 | 90.0° | 109.5° |
C3 | C4 | H50 | 90.0° | 109.4° |
C4 | N2 | C5 | 90.0° | 119.9° |
N2 | C4 | H49 | 90.0° | 109.5° |
N2 | C4 | H50 | 90.0° | 109.5° |
C4 | N2 | H51 | 90.0° | 120.0° |
N2 | C5 | O3 | 90.0° | 120.1° |
N2 | C5 | C7 | 90.0° | 120.0° |
C5 | N2 | H51 | 90.0° | 120.1° |
O3 | C5 | C7 | 90.0° | 120.0° |
C5 | C7 | O2 | 90.0° | 109.5° |
C5 | C7 | C6 | 90.0° | 109.4° |
C5 | C7 | H52 | 90.0° | 109.5° |
O2 | C7 | C6 | 90.0° | 109.5° |
O2 | C7 | H52 | 90.0° | 109.5° |
C7 | O2 | H53 | 90.0° | 114.0° |
C7 | C6 | C8 | 90.0° | 109.5° |
C7 | C6 | C9 | 90.0° | 109.5° |
C6 | C7 | H52 | 90.0° | 109.5° |
C7 | C6 | C13 | 90.0° | 109.5° |
C8 | C6 | C9 | 90.0° | 109.5° |
C6 | C8 | H55 | 90.0° | 109.4° |
C6 | C8 | H56 | 90.0° | 109.4° |
C6 | C8 | O4 | 90.0° | 109.5° |
C8 | C6 | C13 | 90.0° | 109.5° |
C6 | C9 | H58 | 90.0° | 109.5° |
C6 | C9 | H59 | 90.0° | 109.5° |
C6 | C9 | H60 | 90.0° | 109.5° |
C9 | C6 | C13 | 90.0° | 109.4° |
H3 | C1 | H25 | 90.0° | 109.4° |
H47 | C3 | H48 | 90.0° | 109.5° |
H49 | C4 | H50 | 90.0° | 109.5° |
H55 | C8 | H56 | 90.0° | 109.4° |
H55 | C8 | O4 | 90.0° | 109.5° |
H56 | C8 | O4 | 90.0° | 109.5° |
H58 | C9 | H59 | 90.0° | 109.5° |
H58 | C9 | H60 | 90.0° | 109.5° |
H59 | C9 | H60 | 90.0° | 109.4° |
C8 | O4 | P1 | 90.0° | 123.0° |
O4 | P1 | O7 | 90.0° | 109.5° |
O4 | P1 | O5 | 90.0° | 109.4° |
O4 | P1 | O6 | 90.0° | 109.5° |
O7 | P1 | O5 | 90.0° | 109.4° |
O7 | P1 | O6 | 90.0° | 109.5° |
P1 | O7 | C10 | 90.0° | 123.0° |
C6 | C13 | H57 | 90.0° | 109.5° |
C6 | C13 | H61 | 90.0° | 109.5° |
C6 | C13 | H62 | 90.0° | 109.5° |
O5 | P1 | O6 | 90.0° | 109.4° |
P1 | O5 | H63 | 90.0° | 114.0° |
H57 | C13 | H61 | 90.0° | 109.4° |
H57 | C13 | H62 | 90.0° | 109.4° |
H61 | C13 | H62 | 90.0° | 109.5° |
O7 | C10 | C11 | 90.0° | 109.5° |
O7 | C10 | H54 | 90.0° | 109.4° |
O7 | C10 | H64 | 90.0° | 109.5° |
C10 | C11 | C12 | 90.0° | 109.9° |
C10 | C11 | O8 | 90.0° | 109.9° |
C11 | C10 | H54 | 90.0° | 109.5° |
C11 | C10 | H64 | 90.0° | 109.5° |
C10 | C11 | H65 | 90.0° | 109.9° |
C11 | C12 | C14 | 90.0° | 104.2° |
C12 | C11 | O8 | 90.0° | 107.3° |
C12 | C11 | H65 | 90.0° | 109.8° |
C11 | C12 | H66 | 90.0° | 110.5° |
C11 | C12 | O10 | 90.0° | 110.5° |
C12 | C14 | C15 | 90.0° | 102.0° |
C14 | C12 | H66 | 90.0° | 110.5° |
C12 | C14 | H68 | 90.0° | 110.9° |
C14 | C12 | O10 | 90.0° | 110.5° |
C12 | C14 | O9 | 90.0° | 110.9° |
C14 | C15 | O8 | 90.0° | 103.5° |
C15 | C14 | H68 | 90.0° | 110.9° |
C14 | C15 | H70 | 90.0° | 110.6° |
C15 | C14 | O9 | 90.0° | 110.9° |
C14 | C15 | N3 | 90.0° | 110.6° |
C15 | O8 | C11 | 90.0° | 107.0° |
O8 | C15 | H70 | 90.0° | 110.7° |
O8 | C15 | N3 | 90.0° | 110.6° |
O8 | C11 | H65 | 90.0° | 110.0° |
H54 | C10 | H64 | 90.0° | 109.5° |
H66 | C12 | O10 | 90.0° | 110.5° |
H68 | C14 | O9 | 90.0° | 110.9° |
H70 | C15 | N3 | 90.0° | 110.6° |
C12 | O10 | P2 | 90.0° | 123.0° |
C14 | O9 | H67 | 90.0° | 114.0° |
C15 | N3 | C16 | 90.0° | 126.3° |
C15 | N3 | C20 | 90.0° | 126.3° |
O10 | P2 | O13 | 90.0° | 109.5° |
O10 | P2 | O11 | 90.0° | 109.4° |
O10 | P2 | O12 | 90.0° | 109.5° |
O13 | P2 | O11 | 90.0° | 109.5° |
O13 | P2 | O12 | 90.0° | 109.5° |
P2 | O13 | H73 | 90.0° | 114.0° |
O11 | P2 | O12 | 90.0° | 109.5° |
P2 | O12 | H74 | 90.0° | 114.0° |
N3 | C16 | N4 | 90.0° | 110.0° |
C16 | N3 | C20 | 90.0° | 107.4° |
N3 | C16 | H69 | 90.0° | 125.0° |
C16 | N4 | C19 | 90.0° | 109.5° |
N4 | C16 | H69 | 90.0° | 125.0° |
N4 | C19 | C20 | 90.0° | 107.1° |
N4 | C19 | C22 | 90.0° | 134.7° |
C19 | C20 | N3 | 90.0° | 106.0° |
C19 | C20 | N5 | 90.0° | 119.1° |
C20 | C19 | C22 | 90.0° | 118.2° |
N3 | C20 | N5 | 90.0° | 134.9° |
C20 | N5 | C18 | 90.0° | 120.6° |
N5 | C18 | N6 | 90.0° | 122.5° |
N5 | C18 | H75 | 90.0° | 118.8° |
C18 | N6 | C22 | 90.0° | 121.2° |
N6 | C18 | H75 | 90.0° | 118.7° |
N6 | C22 | C19 | 90.0° | 118.5° |
N6 | C22 | N7 | 90.0° | 120.8° |
C19 | C22 | N7 | 90.0° | 120.8° |
C22 | N7 | H71 | 90.0° | 120.0° |
C22 | N7 | H72 | 90.0° | 120.0° |
H71 | N7 | H72 | 90.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O49 | C50 | C52 | C53 | 35.8° | 0.0° |
O49 | C50 | C52 | S48 | 179.8° | 179.9° |
O49 | C50 | S48 | C08 | 44.0° | 0.1° |
O49 | C50 | C52 | C51 | 83.4° | 120.1° |
O49 | C50 | C52 | H4 | 155.9° | 120.0° |
C69 | C68 | C75 | C61 | 62.9° | 72.9° |
C69 | C68 | C76 | C62 | 72.9° | 87.9° |
C69 | C68 | C76 | C64 | 45.6° | 31.0° |
C69 | C68 | C76 | C75 | 117.8° | 117.1° |
C69 | C68 | C76 | C77 | 127.3° | 125.8° |
C69 | C68 | C75 | C77 | 121.8° | 119.2° |
C69 | C68 | C75 | C73 | 59.3° | 48.8° |
C69 | C68 | C77 | C60 | 63.3° | 54.1° |
C68 | C69 | H29 | H30 | 120.0° | 120.0° |
C68 | C69 | H29 | H31 | 120.0° | 120.0° |
C68 | C69 | H30 | H31 | 120.0° | 120.0° |
C69 | C68 | C75 | H36 | 178.9° | 169.8° |
C69 | C68 | C76 | H37 | 170.2° | 153.1° |
C69 | C68 | C77 | H38 | 56.7° | 173.6° |
C69 | C68 | C77 | H39 | 176.8° | 65.3° |
C64 | C55 | C54 | H9 | 120.3° | 120.0° |
C64 | C55 | C54 | H10 | 120.3° | 120.0° |
C55 | C64 | C76 | C62 | 46.3° | 61.5° |
C55 | C64 | C76 | C63 | 120.4° | 120.0° |
C55 | C64 | C76 | H24 | 119.3° | 120.0° |
C55 | C64 | C63 | H24 | 119.0° | 120.0° |
C64 | C55 | C54 | C53 | 167.9° | 180.0° |
C55 | C64 | C76 | C68 | 160.5° | 177.4° |
C64 | C55 | C54 | H7 | 48.2° | 60.0° |
C64 | C55 | C54 | H8 | 72.4° | 60.0° |
C64 | C55 | H9 | H10 | 119.0° | 120.0° |
C55 | C64 | C63 | H21 | 180.0° | 180.0° |
C55 | C64 | C63 | H22 | 60.0° | 60.0° |
C55 | C64 | C63 | H23 | 60.0° | 60.0° |
C55 | C64 | C76 | H37 | 74.8° | 60.6° |
C54 | C55 | C64 | C76 | 75.5° | 175.0° |
C54 | C55 | C64 | C63 | 46.2° | 65.0° |
C55 | C54 | C53 | H7 | 119.7° | 120.0° |
C55 | C54 | C53 | H8 | 119.7° | 120.1° |
C55 | C54 | C53 | C52 | 180.0° | 180.0° |
C55 | C54 | C53 | H5 | 59.7° | 60.0° |
C55 | C54 | C53 | H6 | 59.7° | 60.0° |
C55 | C54 | H7 | H8 | 120.9° | 120.1° |
C54 | C55 | H9 | H10 | 119.0° | 120.0° |
C54 | C55 | C64 | H24 | 165.2° | 55.0° |
C62 | C61 | C75 | H17 | 118.8° | 118.4° |
C62 | C61 | C75 | H18 | 118.8° | 118.4° |
C61 | C62 | C76 | H19 | 119.4° | 119.2° |
C61 | C62 | C76 | H20 | 119.4° | 119.3° |
C61 | C62 | C76 | C64 | 141.0° | 122.4° |
C61 | C62 | C76 | C68 | 19.3° | 3.5° |
C62 | C61 | C75 | C68 | 42.3° | 41.5° |
C62 | C61 | C75 | C73 | 162.3° | 157.1° |
C62 | C61 | H17 | H18 | 123.5° | 123.3° |
C61 | C62 | H19 | H20 | 121.7° | 121.5° |
C62 | C61 | C75 | H36 | 73.8° | 75.8° |
C61 | C62 | C76 | H37 | 97.8° | 115.5° |
C75 | C61 | C62 | C76 | 13.7° | 23.9° |
C61 | C75 | C68 | C76 | 54.7° | 44.3° |
C61 | C75 | C68 | C73 | 122.1° | 121.7° |
C61 | C75 | C68 | H36 | 116.1° | 117.3° |
C61 | C75 | C68 | C77 | 175.4° | 167.9° |
C61 | C75 | C73 | H36 | 123.8° | 126.8° |
C61 | C75 | C73 | C72 | 66.2° | 65.0° |
C61 | C75 | C73 | C74 | 177.6° | 176.5° |
C75 | C61 | H17 | H18 | 123.5° | 123.2° |
C75 | C61 | C62 | H19 | 133.1° | 143.1° |
C75 | C61 | C62 | H20 | 105.7° | 95.4° |
C61 | C75 | C73 | H34 | 56.5° | 56.4° |
C62 | C76 | C64 | C68 | 114.2° | 115.9° |
C62 | C76 | C64 | H37 | 121.1° | 122.1° |
C62 | C76 | C64 | C63 | 166.7° | 178.5° |
C62 | C76 | C68 | H37 | 116.9° | 119.0° |
C62 | C76 | C68 | C75 | 44.9° | 29.2° |
C62 | C76 | C68 | C77 | 159.8° | 146.3° |
C76 | C62 | C61 | H17 | 132.4° | 142.3° |
C76 | C62 | C61 | H18 | 105.1° | 94.4° |
C76 | C62 | H19 | H20 | 121.7° | 121.5° |
C62 | C76 | C64 | H24 | 73.0° | 58.5° |
C76 | C64 | C63 | H24 | 120.3° | 120.0° |
C64 | C76 | C68 | H37 | 124.6° | 122.0° |
C64 | C76 | C68 | C75 | 163.4° | 148.2° |
C64 | C76 | C68 | C77 | 81.7° | 94.7° |
C76 | C64 | C55 | H9 | 164.2° | 65.0° |
C76 | C64 | C55 | H10 | 44.8° | 55.0° |
C64 | C76 | C62 | H19 | 21.6° | 3.2° |
C64 | C76 | C62 | H20 | 99.6° | 118.3° |
C76 | C64 | C63 | H21 | 59.3° | 60.0° |
C76 | C64 | C63 | H22 | 179.3° | 180.0° |
C76 | C64 | C63 | H23 | 60.7° | 60.0° |
C63 | C64 | C76 | C68 | 79.1° | 62.6° |
C63 | C64 | C55 | H9 | 74.1° | 55.0° |
C63 | C64 | C55 | H10 | 166.6° | 174.9° |
C64 | C63 | H21 | H22 | 120.0° | 120.0° |
C64 | C63 | H21 | H23 | 120.0° | 120.0° |
C64 | C63 | H22 | H23 | 120.0° | 120.0° |
C63 | C64 | C76 | H37 | 45.5° | 59.4° |
C54 | C53 | C52 | H5 | 120.3° | 120.0° |
C54 | C53 | C52 | H6 | 120.3° | 120.0° |
C54 | C53 | C52 | C50 | 138.5° | 175.0° |
C54 | C53 | C52 | C51 | 102.6° | 65.0° |
C54 | C53 | C52 | H4 | 18.3° | 55.0° |
C54 | C53 | H5 | H6 | 119.1° | 120.0° |
C53 | C54 | H7 | H8 | 120.9° | 119.9° |
C53 | C54 | C55 | H9 | 71.8° | 60.0° |
C53 | C54 | C55 | H10 | 47.5° | 60.0° |
C53 | C52 | C50 | C51 | 119.2° | 120.0° |
C53 | C52 | C50 | H4 | 120.1° | 120.0° |
C53 | C52 | C50 | S48 | 144.0° | 180.0° |
C53 | C52 | C51 | H4 | 120.9° | 120.0° |
C52 | C53 | H5 | H6 | 119.0° | 120.0° |
C52 | C53 | C54 | H7 | 60.3° | 60.0° |
C52 | C53 | C54 | H8 | 60.4° | 59.9° |
C53 | C52 | C51 | H44 | 180.0° | 60.0° |
C53 | C52 | C51 | H45 | 60.0° | 60.0° |
C53 | C52 | C51 | H46 | 60.0° | 180.0° |
C52 | C50 | S48 | C08 | 135.8° | 180.0° |
C50 | C52 | C51 | H4 | 120.6° | 120.0° |
C50 | C52 | C53 | H5 | 18.1° | 65.0° |
C50 | C52 | C53 | H6 | 101.2° | 55.0° |
C50 | C52 | C51 | H44 | 61.5° | 60.0° |
C50 | C52 | C51 | H45 | 58.5° | 180.0° |
C50 | C52 | C51 | H46 | 178.5° | 60.0° |
S48 | C50 | C52 | C51 | 96.8° | 60.0° |
C50 | S48 | C08 | H1 | 138.5° | 60.0° |
C50 | S48 | C08 | H2 | 102.3° | 60.0° |
S48 | C50 | C52 | H4 | 23.9° | 59.9° |
C50 | S48 | C08 | C1 | 18.1° | 180.0° |
C76 | C68 | C75 | C77 | 120.6° | 123.6° |
C76 | C68 | C75 | C73 | 176.9° | 166.1° |
C76 | C68 | C77 | C60 | 168.8° | 179.9° |
C68 | C76 | C62 | H19 | 100.1° | 115.8° |
C68 | C76 | C62 | H20 | 138.7° | 122.7° |
C68 | C76 | C64 | H24 | 41.3° | 57.4° |
C76 | C68 | C69 | H29 | 180.0° | 53.0° |
C76 | C68 | C69 | H30 | 60.0° | 67.0° |
C76 | C68 | C69 | H31 | 60.0° | 173.0° |
C76 | C68 | C75 | H36 | 61.3° | 72.9° |
C76 | C68 | C77 | H38 | 71.2° | 60.6° |
C76 | C68 | C77 | H39 | 48.9° | 60.5° |
C68 | C75 | C73 | H36 | 121.9° | 120.7° |
C68 | C75 | C73 | C72 | 179.5° | 177.5° |
C68 | C75 | C73 | C74 | 63.4° | 64.0° |
C75 | C68 | C77 | C60 | 59.4° | 65.0° |
C68 | C75 | C61 | H17 | 161.1° | 159.9° |
C68 | C75 | C61 | H18 | 76.4° | 76.9° |
C75 | C68 | C69 | H29 | 70.5° | 60.0° |
C75 | C68 | C69 | H30 | 49.5° | 180.0° |
C75 | C68 | C69 | H31 | 169.5° | 60.0° |
C68 | C75 | C73 | H34 | 57.8° | 56.1° |
C75 | C68 | C76 | H37 | 72.1° | 89.8° |
C75 | C68 | C77 | H38 | 179.3° | 54.4° |
C75 | C68 | C77 | H39 | 60.5° | 175.6° |
C77 | C68 | C75 | C73 | 62.5° | 70.4° |
C68 | C77 | C60 | H38 | 119.9° | 119.4° |
C68 | C77 | C60 | H39 | 119.9° | 119.4° |
C68 | C77 | C60 | C74 | 59.9° | 57.4° |
C68 | C77 | C60 | H15 | 60.1° | 178.0° |
C68 | C77 | C60 | H16 | 180.0° | 63.1° |
C77 | C68 | C69 | H29 | 50.0° | 177.5° |
C77 | C68 | C69 | H30 | 170.0° | 62.5° |
C77 | C68 | C69 | H31 | 70.0° | 57.5° |
C77 | C68 | C75 | H36 | 59.3° | 50.6° |
C77 | C68 | C76 | H37 | 42.9° | 27.3° |
C68 | C77 | H38 | H39 | 120.2° | 121.1° |
S48 | C08 | H1 | H2 | 118.9° | 120.0° |
S48 | C08 | H1 | C1 | 122.3° | 120.0° |
S48 | C08 | H2 | C1 | 122.3° | 120.0° |
S48 | C08 | C1 | N1 | 90.0° | 180.0° |
S48 | C08 | C1 | H3 | 90.0° | 60.0° |
S48 | C08 | C1 | H25 | 90.0° | 59.9° |
C75 | C73 | C72 | C74 | 115.8° | 117.6° |
C75 | C73 | C72 | H34 | 122.7° | 121.7° |
C75 | C73 | C74 | H34 | 121.2° | 120.4° |
C75 | C73 | C72 | C59 | 174.9° | 177.2° |
C75 | C73 | C74 | C60 | 61.3° | 56.5° |
C75 | C73 | C74 | C66 | 174.4° | 177.3° |
C73 | C75 | C61 | H17 | 78.9° | 84.5° |
C73 | C75 | C61 | H18 | 43.5° | 38.7° |
C75 | C73 | C72 | H32 | 54.8° | 62.9° |
C75 | C73 | C72 | H33 | 65.0° | 57.2° |
C75 | C73 | C74 | H35 | 55.3° | 63.9° |
C72 | C73 | C74 | H34 | 121.6° | 120.7° |
C73 | C72 | C59 | H32 | 120.1° | 119.9° |
C73 | C72 | C59 | H33 | 120.1° | 119.9° |
C73 | C72 | C59 | C65 | 54.4° | 55.2° |
C72 | C73 | C74 | C60 | 178.5° | 175.4° |
C72 | C73 | C74 | C66 | 57.2° | 63.7° |
C73 | C72 | H32 | H33 | 119.8° | 120.1° |
C72 | C73 | C74 | H35 | 61.9° | 55.1° |
C72 | C73 | C75 | H36 | 57.6° | 61.8° |
C73 | C72 | C59 | H42 | 174.9° | 64.5° |
C73 | C72 | C59 | H43 | 66.0° | 175.0° |
C74 | C73 | C72 | C59 | 59.1° | 65.2° |
C73 | C74 | C66 | C67 | 71.8° | 64.0° |
C73 | C74 | C60 | C77 | 61.2° | 53.8° |
C73 | C74 | C60 | C66 | 125.3° | 120.9° |
C73 | C74 | C60 | H35 | 116.8° | 120.1° |
C73 | C74 | C66 | H35 | 119.3° | 118.5° |
C73 | C74 | C66 | C65 | 47.5° | 53.2° |
C73 | C74 | C66 | C56 | 171.0° | 179.1° |
C73 | C74 | C60 | H15 | 58.8° | 174.3° |
C73 | C74 | C60 | H16 | 178.7° | 66.8° |
C74 | C73 | C72 | H32 | 61.0° | 54.7° |
C74 | C73 | C72 | H33 | 179.1° | 174.9° |
C74 | C73 | C75 | H36 | 58.5° | 56.7° |
C72 | C59 | C65 | H42 | 120.5° | 119.7° |
C72 | C59 | C65 | H43 | 120.4° | 119.8° |
C72 | C59 | C65 | C66 | 47.5° | 49.4° |
C72 | C59 | C65 | C58 | 116.6° | 131.6° |
C59 | C72 | H32 | H33 | 119.8° | 120.2° |
C59 | C72 | C73 | H34 | 62.4° | 55.5° |
C72 | C59 | H42 | H43 | 118.5° | 120.4° |
C51 | C52 | C53 | H5 | 137.1° | 55.0° |
C51 | C52 | C53 | H6 | 17.8° | 175.0° |
C52 | C51 | H44 | H45 | 120.0° | 120.0° |
C52 | C51 | H44 | H46 | 120.0° | 120.1° |
C52 | C51 | H45 | H46 | 120.0° | 120.1° |
C59 | C65 | C66 | C67 | 77.4° | 68.3° |
C59 | C65 | C66 | C74 | 43.1° | 48.5° |
C59 | C65 | C66 | C58 | 163.1° | 179.0° |
C59 | C65 | C66 | C56 | 162.3° | 171.7° |
C59 | C65 | C58 | C70 | 172.9° | 178.3° |
C65 | C59 | C72 | H32 | 65.6° | 64.7° |
C65 | C59 | C72 | H33 | 174.5° | 175.1° |
C59 | C65 | C58 | H40 | 7.1° | 1.7° |
C65 | C59 | H42 | H43 | 118.5° | 120.4° |
C67 | C66 | C74 | C60 | 50.9° | 58.5° |
C67 | C66 | C74 | C65 | 119.3° | 117.2° |
C67 | C66 | C74 | C56 | 117.2° | 116.9° |
C67 | C66 | C65 | C56 | 120.3° | 120.1° |
C67 | C66 | C65 | C58 | 119.5° | 110.7° |
C67 | C66 | C56 | C57 | 84.2° | 80.5° |
C67 | C66 | C56 | H11 | 36.2° | 159.0° |
C67 | C66 | C56 | H12 | 155.5° | 40.1° |
C66 | C67 | H26 | H27 | 120.0° | 120.0° |
C66 | C67 | H26 | H28 | 120.0° | 119.9° |
C66 | C67 | H27 | H28 | 120.0° | 120.0° |
C67 | C66 | C74 | H35 | 168.9° | 177.5° |
C77 | C60 | C74 | H15 | 120.0° | 120.6° |
C77 | C60 | C74 | H16 | 120.0° | 120.5° |
C77 | C60 | C74 | C66 | 173.5° | 174.7° |
C77 | C60 | H15 | H16 | 120.0° | 118.8° |
C77 | C60 | C74 | H35 | 55.5° | 66.3° |
C60 | C77 | H38 | H39 | 120.2° | 121.2° |
C60 | C74 | C66 | H35 | 118.0° | 119.0° |
C60 | C74 | C66 | C65 | 170.2° | 175.7° |
C60 | C74 | C66 | C56 | 66.3° | 58.4° |
C74 | C60 | H15 | H16 | 120.0° | 118.9° |
C60 | C74 | C73 | H34 | 59.9° | 63.9° |
C74 | C60 | C77 | H38 | 179.8° | 62.0° |
C74 | C60 | C77 | H39 | 60.0° | 176.8° |
C74 | C66 | C65 | C56 | 119.2° | 123.1° |
C74 | C66 | C65 | C58 | 120.0° | 132.5° |
C74 | C66 | C56 | C57 | 157.6° | 163.1° |
C74 | C66 | C56 | H11 | 82.0° | 42.6° |
C74 | C66 | C56 | H12 | 37.3° | 76.3° |
C66 | C74 | C60 | H15 | 66.5° | 64.8° |
C66 | C74 | C60 | H16 | 53.5° | 54.2° |
C74 | C66 | C67 | H26 | 180.0° | 58.5° |
C74 | C66 | C67 | H27 | 60.0° | 61.5° |
C74 | C66 | C67 | H28 | 60.0° | 178.5° |
C66 | C74 | C73 | H34 | 64.4° | 57.0° |
C66 | C65 | C58 | C70 | 23.3° | 0.7° |
C65 | C66 | C56 | C57 | 35.9° | 39.6° |
C65 | C66 | C56 | H11 | 156.3° | 80.9° |
C65 | C66 | C56 | H12 | 84.4° | 160.2° |
C65 | C66 | C67 | H26 | 59.1° | 60.0° |
C65 | C66 | C67 | H27 | 60.9° | 180.0° |
C65 | C66 | C67 | H28 | 179.1° | 60.0° |
C65 | C66 | C74 | H35 | 71.8° | 65.3° |
C66 | C65 | C58 | H40 | 156.6° | 179.3° |
C66 | C65 | C59 | H42 | 168.0° | 70.3° |
C66 | C65 | C59 | H43 | 72.9° | 169.1° |
C58 | C65 | C66 | C56 | 0.8° | 9.4° |
C65 | C58 | C70 | H40 | 180.0° | 180.0° |
C65 | C58 | C70 | C57 | 8.3° | 20.8° |
C65 | C58 | C70 | O71 | 171.7° | 159.2° |
C58 | C65 | C59 | H42 | 3.9° | 108.7° |
C58 | C65 | C59 | H43 | 123.0° | 11.8° |
C66 | C56 | C57 | H11 | 120.3° | 120.5° |
C66 | C56 | C57 | H12 | 120.3° | 120.5° |
C66 | C56 | C57 | C70 | 49.4° | 58.0° |
C66 | C56 | H11 | H12 | 119.0° | 118.9° |
C66 | C56 | C57 | H13 | 71.1° | 61.5° |
C66 | C56 | C57 | H14 | 169.8° | 177.6° |
C56 | C66 | C67 | H26 | 64.2° | 176.2° |
C56 | C66 | C67 | H27 | 175.7° | 56.2° |
C56 | C66 | C67 | H28 | 55.7° | 63.8° |
C56 | C66 | C74 | H35 | 51.7° | 60.6° |
C58 | C70 | C57 | C56 | 28.1° | 49.3° |
C58 | C70 | C57 | O71 | 180.0° | 179.9° |
C58 | C70 | C57 | H13 | 92.3° | 70.2° |
C58 | C70 | C57 | H14 | 148.5° | 168.8° |
C56 | C57 | C70 | H13 | 120.4° | 119.5° |
C56 | C57 | C70 | H14 | 120.4° | 119.4° |
C56 | C57 | C70 | O71 | 151.9° | 130.7° |
C57 | C56 | H11 | H12 | 119.0° | 119.0° |
C56 | C57 | H13 | H14 | 118.7° | 120.9° |
C70 | C57 | C56 | H11 | 169.7° | 62.5° |
C70 | C57 | C56 | H12 | 70.9° | 178.5° |
C70 | C57 | H13 | H14 | 118.7° | 121.1° |
C57 | C70 | C58 | H40 | 171.7° | 159.2° |
O71 | C70 | C57 | H13 | 87.7° | 109.8° |
O71 | C70 | C57 | H14 | 31.4° | 11.3° |
O71 | C70 | C58 | H40 | 8.3° | 20.7° |
H1 | C08 | H2 | C1 | 118.8° | 119.9° |
H1 | C08 | C1 | N1 | 90.0° | 60.0° |
H1 | C08 | C1 | H3 | 90.0° | 180.0° |
H1 | C08 | C1 | H25 | 90.0° | 60.1° |
H2 | C08 | C1 | N1 | 90.0° | 59.9° |
H2 | C08 | C1 | H3 | 90.0° | 60.1° |
H2 | C08 | C1 | H25 | 90.0° | 180.0° |
H4 | C52 | C53 | H5 | 102.0° | 175.0° |
H4 | C52 | C53 | H6 | 138.6° | 65.0° |
H4 | C52 | C51 | H44 | 59.1° | 180.0° |
H4 | C52 | C51 | H45 | 179.1° | 60.0° |
H4 | C52 | C51 | H46 | 60.9° | 60.0° |
H5 | C53 | C54 | H7 | 179.4° | 180.0° |
H5 | C53 | C54 | H8 | 60.0° | 60.0° |
H6 | C53 | C54 | H7 | 60.0° | 60.0° |
H6 | C53 | C54 | H8 | 179.3° | 180.0° |
H7 | C54 | C55 | H9 | 168.5° | 180.0° |
H7 | C54 | C55 | H10 | 72.1° | 60.0° |
H8 | C54 | C55 | H9 | 47.9° | 60.0° |
H8 | C54 | C55 | H10 | 167.2° | 180.0° |
H9 | C55 | C64 | H24 | 44.9° | 175.0° |
H10 | C55 | C64 | H24 | 74.4° | 65.0° |
H11 | C56 | C57 | H13 | 49.3° | 178.0° |
H11 | C56 | C57 | H14 | 69.8° | 57.1° |
H12 | C56 | C57 | H13 | 168.6° | 59.0° |
H12 | C56 | C57 | H14 | 49.5° | 61.9° |
H15 | C60 | C74 | H35 | 175.5° | 54.2° |
H15 | C60 | C77 | H38 | 59.8° | 58.6° |
H15 | C60 | C77 | H39 | 180.0° | 62.6° |
H16 | C60 | C74 | H35 | 64.5° | 173.1° |
H16 | C60 | C77 | H38 | 60.1° | 177.4° |
H16 | C60 | C77 | H39 | 60.0° | 56.2° |
H17 | C61 | C62 | H19 | 108.1° | 98.5° |
H17 | C61 | C62 | H20 | 13.0° | 23.0° |
H17 | C61 | C75 | H36 | 45.0° | 42.6° |
H18 | C61 | C62 | H19 | 14.3° | 24.8° |
H18 | C61 | C62 | H20 | 135.5° | 146.3° |
H18 | C61 | C75 | H36 | 167.4° | 165.8° |
H19 | C62 | C76 | H37 | 142.8° | 125.2° |
H20 | C62 | C76 | H37 | 21.6° | 3.7° |
H21 | C63 | H22 | H23 | 120.0° | 119.9° |
H21 | C63 | C64 | H24 | 61.0° | 60.0° |
H22 | C63 | C64 | H24 | 59.0° | 60.0° |
H23 | C63 | C64 | H24 | 179.0° | 180.0° |
H24 | C64 | C76 | H37 | 165.9° | 179.4° |
H26 | C67 | H27 | H28 | 119.9° | 120.1° |
H29 | C69 | H30 | H31 | 120.0° | 120.0° |
H32 | C72 | C73 | H34 | 177.5° | 175.4° |
H32 | C72 | C59 | H42 | 54.8° | 175.6° |
H32 | C72 | C59 | H43 | 173.9° | 55.1° |
H33 | C72 | C73 | H34 | 57.7° | 64.4° |
H33 | C72 | C59 | H42 | 65.1° | 55.4° |
H33 | C72 | C59 | H43 | 54.0° | 65.0° |
H34 | C73 | C74 | H35 | 176.5° | 175.7° |
H34 | C73 | C75 | H36 | 179.6° | 176.8° |
H44 | C51 | H45 | H46 | 120.0° | 119.9° |
C08 | C1 | N1 | H3 | 90.0° | 120.0° |
C08 | C1 | N1 | H25 | 90.0° | 120.0° |
C08 | C1 | N1 | C2 | 90.0° | 180.0° |
C08 | C1 | H3 | H25 | 90.0° | 119.9° |
C08 | C1 | N1 | H41 | 90.0° | 0.0° |
C1 | N1 | C2 | H41 | 90.0° | 179.9° |
C1 | N1 | C2 | O1 | 90.0° | 0.1° |
C1 | N1 | C2 | C3 | 90.0° | 180.0° |
N1 | C1 | H3 | H25 | 90.0° | 120.0° |
N1 | C2 | O1 | C3 | 90.0° | 180.0° |
N1 | C2 | C3 | C4 | 90.0° | 180.0° |
C2 | N1 | C1 | H3 | 90.0° | 60.1° |
C2 | N1 | C1 | H25 | 90.0° | 59.9° |
N1 | C2 | C3 | H47 | 90.0° | 60.1° |
N1 | C2 | C3 | H48 | 90.0° | 60.0° |
O1 | C2 | C3 | C4 | 90.0° | 0.0° |
O1 | C2 | N1 | H41 | 90.0° | 180.0° |
O1 | C2 | C3 | H47 | 90.0° | 120.0° |
O1 | C2 | C3 | H48 | 90.0° | 120.0° |
C2 | C3 | C4 | H47 | 90.0° | 120.0° |
C2 | C3 | C4 | H48 | 90.0° | 120.0° |
C2 | C3 | C4 | N2 | 90.0° | 180.0° |
C3 | C2 | N1 | H41 | 90.0° | 0.1° |
C2 | C3 | H47 | H48 | 90.0° | 120.0° |
C2 | C3 | C4 | H49 | 90.0° | 60.0° |
C2 | C3 | C4 | H50 | 90.0° | 60.0° |
C3 | C4 | N2 | H49 | 90.0° | 120.0° |
C3 | C4 | N2 | H50 | 90.0° | 119.9° |
C3 | C4 | N2 | C5 | 90.0° | 180.0° |
C4 | C3 | H47 | H48 | 90.0° | 120.0° |
C3 | C4 | H49 | H50 | 90.0° | 120.0° |
C3 | C4 | N2 | H51 | 90.0° | 0.0° |
C4 | N2 | C5 | H51 | 90.0° | 180.0° |
C4 | N2 | C5 | O3 | 90.0° | 5.0° |
C4 | N2 | C5 | C7 | 90.0° | 175.0° |
N2 | C4 | C3 | H47 | 90.0° | 60.0° |
N2 | C4 | C3 | H48 | 90.0° | 60.0° |
N2 | C4 | H49 | H50 | 90.0° | 120.1° |
N2 | C5 | O3 | C7 | 90.0° | 180.0° |
N2 | C5 | C7 | O2 | 90.0° | 7.1° |
N2 | C5 | C7 | C6 | 90.0° | 112.9° |
C5 | N2 | C4 | H49 | 90.0° | 60.0° |
C5 | N2 | C4 | H50 | 90.0° | 60.0° |
N2 | C5 | C7 | H52 | 90.0° | 127.1° |
O3 | C5 | C7 | O2 | 90.0° | 172.9° |
O3 | C5 | C7 | C6 | 90.0° | 67.1° |
O3 | C5 | N2 | H51 | 90.0° | 175.0° |
O3 | C5 | C7 | H52 | 90.0° | 52.9° |
C5 | C7 | O2 | C6 | 90.0° | 120.0° |
C5 | C7 | O2 | H52 | 90.0° | 120.0° |
C5 | C7 | C6 | H52 | 90.0° | 120.0° |
C5 | C7 | C6 | C8 | 90.0° | 174.6° |
C5 | C7 | C6 | C9 | 90.0° | 54.5° |
C7 | C5 | N2 | H51 | 90.0° | 5.0° |
C5 | C7 | O2 | H53 | 90.0° | 60.0° |
C5 | C7 | C6 | C13 | 90.0° | 65.4° |
O2 | C7 | C6 | H52 | 90.0° | 120.0° |
O2 | C7 | C6 | C8 | 90.0° | 54.6° |
O2 | C7 | C6 | C9 | 90.0° | 65.5° |
O2 | C7 | C6 | C13 | 90.0° | 174.6° |
C7 | C6 | C8 | C9 | 90.0° | 120.0° |
C7 | C6 | C8 | C13 | 90.0° | 120.0° |
C7 | C6 | C9 | C13 | 90.0° | 120.0° |
C6 | C7 | O2 | H53 | 90.0° | 59.9° |
C7 | C6 | C8 | H55 | 90.0° | 59.9° |
C7 | C6 | C8 | H56 | 90.0° | 60.0° |
C7 | C6 | C9 | H58 | 90.0° | 60.0° |
C7 | C6 | C9 | H59 | 90.0° | 179.9° |
C7 | C6 | C9 | H60 | 90.0° | 60.1° |
C7 | C6 | C8 | O4 | 90.0° | 180.0° |
C7 | C6 | C13 | H57 | 90.0° | 53.6° |
C7 | C6 | C13 | H61 | 90.0° | 173.5° |
C7 | C6 | C13 | H62 | 90.0° | 66.4° |
C8 | C6 | C9 | C13 | 90.0° | 120.0° |
C8 | C6 | C7 | H52 | 90.0° | 65.5° |
C6 | C8 | H55 | H56 | 90.0° | 119.9° |
C6 | C8 | H55 | O4 | 90.0° | 120.1° |
C6 | C8 | H56 | O4 | 90.0° | 120.0° |
C8 | C6 | C9 | H58 | 90.0° | 180.0° |
C8 | C6 | C9 | H59 | 90.0° | 59.9° |
C8 | C6 | C9 | H60 | 90.0° | 60.0° |
C6 | C8 | O4 | P1 | 90.0° | 180.0° |
C8 | C6 | C13 | H57 | 90.0° | 66.4° |
C8 | C6 | C13 | H61 | 90.0° | 53.5° |
C8 | C6 | C13 | H62 | 90.0° | 173.6° |
C9 | C6 | C7 | H52 | 90.0° | 174.5° |
C9 | C6 | C8 | H55 | 90.0° | 180.0° |
C9 | C6 | C8 | H56 | 90.0° | 60.1° |
C6 | C9 | H58 | H59 | 90.0° | 120.0° |
C6 | C9 | H58 | H60 | 90.0° | 120.0° |
C6 | C9 | H59 | H60 | 90.0° | 119.9° |
C9 | C6 | C8 | O4 | 90.0° | 60.0° |
C9 | C6 | C13 | H57 | 90.0° | 173.6° |
C9 | C6 | C13 | H61 | 90.0° | 66.5° |
C9 | C6 | C13 | H62 | 90.0° | 53.6° |
H3 | C1 | N1 | H41 | 90.0° | 120.0° |
H25 | C1 | N1 | H41 | 90.0° | 120.0° |
H47 | C3 | C4 | H49 | 90.0° | 180.0° |
H47 | C3 | C4 | H50 | 90.0° | 60.0° |
H48 | C3 | C4 | H49 | 90.0° | 60.0° |
H48 | C3 | C4 | H50 | 90.0° | 180.0° |
H49 | C4 | N2 | H51 | 90.0° | 120.0° |
H50 | C4 | N2 | H51 | 90.0° | 120.0° |
H52 | C7 | O2 | H53 | 90.0° | 179.9° |
H52 | C7 | C6 | C13 | 90.0° | 54.5° |
H55 | C8 | H56 | O4 | 90.0° | 120.0° |
H55 | C8 | O4 | P1 | 90.0° | 60.0° |
H55 | C8 | C6 | C13 | 90.0° | 60.1° |
H56 | C8 | O4 | P1 | 90.0° | 60.0° |
H56 | C8 | C6 | C13 | 90.0° | 180.0° |
H58 | C9 | H59 | H60 | 90.0° | 120.0° |
H58 | C9 | C6 | C13 | 90.0° | 60.0° |
H59 | C9 | C6 | C13 | 90.0° | 60.0° |
H60 | C9 | C6 | C13 | 90.0° | 179.9° |
C8 | O4 | P1 | O7 | 90.0° | 175.0° |
O4 | C8 | C6 | C13 | 90.0° | 60.0° |
C8 | O4 | P1 | O5 | 90.0° | 65.0° |
C8 | O4 | P1 | O6 | 90.0° | 55.0° |
O4 | P1 | O7 | O5 | 90.0° | 120.0° |
O4 | P1 | O7 | O6 | 90.0° | 120.1° |
O4 | P1 | O5 | O6 | 90.0° | 120.0° |
O4 | P1 | O5 | H63 | 90.0° | 60.0° |
O4 | P1 | O7 | C10 | 90.0° | 175.0° |
O7 | P1 | O5 | O6 | 90.0° | 120.0° |
O7 | P1 | O5 | H63 | 90.0° | 60.0° |
P1 | O7 | C10 | C11 | 90.0° | 180.0° |
P1 | O7 | C10 | H54 | 90.0° | 60.0° |
P1 | O7 | C10 | H64 | 90.0° | 59.9° |
C6 | C13 | H57 | H61 | 90.0° | 120.0° |
C6 | C13 | H57 | H62 | 90.0° | 120.0° |
C6 | C13 | H61 | H62 | 90.0° | 120.1° |
O5 | P1 | O7 | C10 | 90.0° | 65.0° |
O6 | P1 | O5 | H63 | 90.0° | 180.0° |
O6 | P1 | O7 | C10 | 90.0° | 54.9° |
H57 | C13 | H61 | H62 | 90.0° | 119.9° |
O7 | C10 | C11 | H54 | 90.0° | 120.0° |
O7 | C10 | C11 | H64 | 90.0° | 120.0° |
O7 | C10 | C11 | C12 | 90.0° | 175.0° |
O7 | C10 | C11 | O8 | 90.0° | 67.2° |
O7 | C10 | H54 | H64 | 90.0° | 120.0° |
O7 | C10 | C11 | H65 | 90.0° | 54.0° |
C10 | C11 | C12 | O8 | 90.0° | 119.4° |
C10 | C11 | C12 | H65 | 90.0° | 121.1° |
C10 | C11 | C12 | C14 | 90.0° | 121.5° |
C10 | C11 | O8 | C15 | 90.0° | 145.9° |
C10 | C11 | O8 | H65 | 90.0° | 121.2° |
C11 | C10 | H54 | H64 | 90.0° | 120.0° |
C10 | C11 | C12 | H66 | 90.0° | 119.9° |
C10 | C11 | C12 | O10 | 90.0° | 2.8° |
C11 | C12 | C14 | H66 | 90.0° | 118.7° |
C11 | C12 | C14 | O10 | 90.0° | 118.7° |
C11 | C12 | C14 | C15 | 90.0° | 20.9° |
C12 | C11 | O8 | C15 | 90.0° | 26.5° |
C12 | C11 | O8 | H65 | 90.0° | 119.4° |
C12 | C11 | C10 | H54 | 90.0° | 55.0° |
C12 | C11 | C10 | H64 | 90.0° | 65.0° |
C11 | C12 | H66 | O10 | 90.0° | 122.6° |
C11 | C12 | C14 | H68 | 90.0° | 139.1° |
C11 | C12 | C14 | O9 | 90.0° | 97.3° |
C11 | C12 | O10 | P2 | 90.0° | 120.0° |
C12 | C14 | C15 | H68 | 90.0° | 118.2° |
C12 | C14 | C15 | O9 | 90.0° | 118.1° |
C12 | C14 | C15 | O8 | 90.0° | 37.0° |
C14 | C12 | C11 | O8 | 90.0° | 2.0° |
C14 | C12 | C11 | H65 | 90.0° | 117.5° |
C14 | C12 | H66 | O10 | 90.0° | 122.6° |
C12 | C14 | H68 | O9 | 90.0° | 123.7° |
C12 | C14 | C15 | H70 | 90.0° | 81.6° |
C12 | C14 | C15 | N3 | 90.0° | 155.5° |
C14 | C12 | O10 | P2 | 90.0° | 125.2° |
C12 | C14 | O9 | H67 | 90.0° | 179.9° |
C14 | C15 | O8 | H70 | 90.0° | 118.5° |
C14 | C15 | O8 | N3 | 90.0° | 118.5° |
C14 | C15 | O8 | C11 | 90.0° | 40.1° |
C15 | C14 | C12 | H66 | 90.0° | 97.9° |
C15 | C14 | H68 | O9 | 90.0° | 123.7° |
C14 | C15 | H70 | N3 | 90.0° | 122.9° |
C15 | C14 | C12 | O10 | 90.0° | 139.5° |
C15 | C14 | O9 | H67 | 90.0° | 67.3° |
C14 | C15 | N3 | C16 | 90.0° | 95.0° |
C14 | C15 | N3 | C20 | 90.0° | 85.2° |
C15 | O8 | C11 | H65 | 90.0° | 92.9° |
O8 | C15 | C14 | H68 | 90.0° | 155.2° |
O8 | C15 | H70 | N3 | 90.0° | 123.0° |
O8 | C15 | C14 | O9 | 90.0° | 81.1° |
O8 | C15 | N3 | C16 | 90.0° | 19.1° |
O8 | C15 | N3 | C20 | 90.0° | 160.7° |
O8 | C11 | C10 | H54 | 90.0° | 172.8° |
O8 | C11 | C10 | H64 | 90.0° | 52.8° |
O8 | C11 | C12 | H66 | 90.0° | 120.7° |
C11 | O8 | C15 | H70 | 90.0° | 78.4° |
O8 | C11 | C12 | O10 | 90.0° | 116.6° |
C11 | O8 | C15 | N3 | 90.0° | 158.6° |
H54 | C10 | C11 | H65 | 90.0° | 66.0° |
H64 | C10 | C11 | H65 | 90.0° | 174.0° |
H65 | C11 | C12 | H66 | 90.0° | 1.2° |
H65 | C11 | C12 | O10 | 90.0° | 123.8° |
H66 | C12 | C14 | H68 | 90.0° | 20.3° |
H66 | C12 | C14 | O9 | 90.0° | 144.0° |
H66 | C12 | O10 | P2 | 90.0° | 2.6° |
H68 | C14 | C15 | H70 | 90.0° | 36.7° |
H68 | C14 | C12 | O10 | 90.0° | 102.2° |
H68 | C14 | C15 | N3 | 90.0° | 86.3° |
H68 | C14 | O9 | H67 | 90.0° | 56.4° |
H70 | C15 | C14 | O9 | 90.0° | 160.3° |
H70 | C15 | N3 | C16 | 90.0° | 142.1° |
H70 | C15 | N3 | C20 | 90.0° | 37.7° |
O10 | C12 | C14 | O9 | 90.0° | 21.4° |
C12 | O10 | P2 | O13 | 90.0° | 65.0° |
C12 | O10 | P2 | O11 | 90.0° | 55.0° |
C12 | O10 | P2 | O12 | 90.0° | 175.0° |
O9 | C14 | C15 | N3 | 90.0° | 37.4° |
C15 | N3 | C16 | C20 | 90.0° | 179.8° |
C15 | N3 | C16 | N4 | 90.0° | 180.0° |
C15 | N3 | C20 | C19 | 90.0° | 179.9° |
C15 | N3 | C16 | H69 | 90.0° | 0.0° |
C15 | N3 | C20 | N5 | 90.0° | 0.2° |
O10 | P2 | O13 | O11 | 90.0° | 120.0° |
O10 | P2 | O13 | O12 | 90.0° | 120.0° |
O10 | P2 | O11 | O12 | 90.0° | 120.0° |
O10 | P2 | O13 | H73 | 90.0° | 60.0° |
O10 | P2 | O12 | H74 | 90.0° | 180.0° |
O13 | P2 | O11 | O12 | 90.0° | 120.0° |
O13 | P2 | O12 | H74 | 90.0° | 60.0° |
O11 | P2 | O13 | H73 | 90.0° | 179.9° |
O11 | P2 | O12 | H74 | 90.0° | 60.0° |
O12 | P2 | O13 | H73 | 90.0° | 60.0° |
N3 | C16 | N4 | H69 | 90.0° | 179.9° |
N3 | C16 | N4 | C19 | 90.0° | 0.1° |
C16 | N3 | C20 | C19 | 90.0° | 0.3° |
C16 | N3 | C20 | N5 | 90.0° | 180.0° |
C16 | N4 | C19 | C20 | 90.0° | 0.3° |
N4 | C16 | N3 | C20 | 90.0° | 0.2° |
C16 | N4 | C19 | C22 | 90.0° | 180.0° |
N4 | C19 | C20 | C22 | 90.0° | 179.8° |
N4 | C19 | C20 | N3 | 90.0° | 0.4° |
C19 | N4 | C16 | H69 | 90.0° | 180.0° |
N4 | C19 | C20 | N5 | 90.0° | 179.9° |
N4 | C19 | C22 | N6 | 90.0° | 179.9° |
N4 | C19 | C22 | N7 | 90.0° | 0.3° |
C19 | C20 | N3 | N5 | 90.0° | 179.6° |
C19 | C20 | N5 | C18 | 90.0° | 0.1° |
C20 | C19 | C22 | N6 | 90.0° | 0.4° |
C20 | C19 | C22 | N7 | 90.0° | 180.0° |
C20 | N3 | C16 | H69 | 90.0° | 179.8° |
N3 | C20 | N5 | C18 | 90.0° | 179.5° |
N3 | C20 | C19 | C22 | 90.0° | 179.9° |
C20 | N5 | C18 | N6 | 90.0° | 0.1° |
N5 | C20 | C19 | C22 | 90.0° | 0.2° |
C20 | N5 | C18 | H75 | 90.0° | 180.0° |
N5 | C18 | N6 | H75 | 90.0° | 179.9° |
N5 | C18 | N6 | C22 | 90.0° | 0.1° |
C18 | N6 | C22 | C19 | 90.0° | 0.3° |
C18 | N6 | C22 | N7 | 90.0° | 180.0° |
N6 | C22 | C19 | N7 | 90.0° | 179.6° |
C22 | N6 | C18 | H75 | 90.0° | 179.8° |
N6 | C22 | N7 | H71 | 90.0° | 0.0° |
N6 | C22 | N7 | H72 | 90.0° | 180.0° |
C19 | C22 | N7 | H71 | 90.0° | 179.6° |
C19 | C22 | N7 | H72 | 90.0° | 0.4° |
C22 | N7 | H71 | H72 | 90.0° | 180.0° |