2N7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
C1 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
C1 | C40 | sing | 1.48Å | 1.50Å | |
C2 | C3 | sing | 1.37Å | 1.38Å | Aromatic |
C3 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.40Å | Aromatic |
C5 | N9 | sing | 1.39Å | 1.39Å | Aromatic |
C6 | C7 | sing | 1.40Å | 1.45Å | Aromatic |
C7 | C8 | doub | 1.37Å | 1.39Å | Aromatic |
C7 | C11 | sing | 1.51Å | 1.49Å | |
C8 | N9 | sing | 1.37Å | 1.43Å | Aromatic |
C8 | C18 | sing | 1.48Å | 1.48Å | |
N9 | C10 | sing | 1.46Å | 1.45Å | |
C10 | C25 | sing | 1.52Å | 1.50Å | |
C11 | C12 | sing | 1.53Å | 1.53Å | |
C11 | C16 | sing | 1.53Å | 1.54Å | |
C12 | C13 | sing | 1.53Å | 1.52Å | |
C13 | C14 | sing | 1.53Å | 1.52Å | |
C14 | C15 | sing | 1.53Å | 1.51Å | |
C15 | C16 | sing | 1.53Å | 1.53Å | |
C17 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
C17 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
C17 | C26 | sing | 1.45Å | 1.49Å | |
C18 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
C19 | C20 | doub | 1.37Å | 1.38Å | Aromatic |
C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
C21 | O23 | sing | 1.36Å | 1.37Å | |
O23 | C24 | sing | 1.43Å | 1.43Å | |
C25 | C26 | sing | 1.51Å | 1.54Å | |
C25 | C27 | sing | 1.57Å | 1.50Å | |
C25 | C28 | sing | 1.51Å | 1.55Å | |
C26 | C27 | sing | 1.44Å | 1.50Å | |
C28 | N30 | sing | 1.35Å | 1.36Å | |
C28 | O31 | doub | 1.21Å | 1.22Å | |
N30 | C32 | sing | 1.48Å | 1.48Å | |
N30 | C36 | sing | 1.48Å | 1.49Å | |
C32 | C33 | sing | 1.54Å | 1.52Å | |
C32 | C37 | sing | 1.55Å | 1.53Å | |
C33 | N34 | sing | 1.47Å | 1.46Å | |
N34 | C35 | sing | 1.47Å | 1.46Å | |
N34 | C39 | sing | 1.47Å | 1.46Å | |
C35 | C36 | sing | 1.53Å | 1.51Å | |
C36 | C38 | sing | 1.55Å | 1.54Å | |
C37 | C38 | sing | 1.55Å | 1.53Å | |
C40 | O41 | doub | 1.22Å | 1.23Å | |
C40 | N42 | sing | 1.35Å | 1.39Å | |
N42 | S43 | sing | 1.66Å | 1.70Å | |
S43 | N44 | sing | 1.66Å | 1.66Å | |
S43 | O45 | doub | 1.42Å | 1.43Å | |
S43 | O46 | doub | 1.42Å | 1.43Å | |
N44 | C47 | sing | 1.47Å | 1.47Å | |
N44 | C48 | sing | 1.46Å | 1.47Å | |
C2 | H49 | sing | 1.08Å | 1.08Å | |
C3 | H50 | sing | 1.08Å | 1.08Å | |
C4 | H51 | sing | 1.08Å | 1.08Å | |
C10 | H52 | sing | 1.09Å | 1.10Å | |
C10 | H53 | sing | 1.09Å | 1.10Å | |
C11 | H54 | sing | 1.09Å | 1.10Å | |
C12 | H55 | sing | 1.09Å | 1.10Å | |
C12 | H56 | sing | 1.09Å | 1.10Å | |
C13 | H57 | sing | 1.09Å | 1.10Å | |
C13 | H58 | sing | 1.09Å | 1.10Å | |
C14 | H59 | sing | 1.09Å | 1.10Å | |
C14 | H60 | sing | 1.09Å | 1.10Å | |
C15 | H61 | sing | 1.09Å | 1.10Å | |
C15 | H62 | sing | 1.09Å | 1.10Å | |
C16 | H63 | sing | 1.09Å | 1.10Å | |
C16 | H64 | sing | 1.09Å | 1.10Å | |
C19 | H65 | sing | 1.08Å | 1.08Å | |
C20 | H66 | sing | 1.08Å | 1.08Å | |
C22 | H67 | sing | 1.08Å | 1.08Å | |
C24 | H68 | sing | 1.09Å | 1.10Å | |
C24 | H69 | sing | 1.09Å | 1.10Å | |
C24 | H70 | sing | 1.09Å | 1.10Å | |
C26 | H29 | sing | 1.09Å | 1.10Å | |
C27 | H71 | sing | 1.09Å | 1.10Å | |
C27 | H72 | sing | 1.09Å | 1.10Å | |
C32 | H73 | sing | 1.09Å | 1.10Å | |
C33 | H74 | sing | 1.09Å | 1.10Å | |
C33 | H75 | sing | 1.09Å | 1.10Å | |
C35 | H76 | sing | 1.09Å | 1.10Å | |
C35 | H77 | sing | 1.09Å | 1.10Å | |
C36 | H78 | sing | 1.09Å | 1.10Å | |
C37 | H79 | sing | 1.09Å | 1.10Å | |
C37 | H80 | sing | 1.09Å | 1.10Å | |
C38 | H81 | sing | 1.09Å | 1.10Å | |
C38 | H82 | sing | 1.09Å | 1.10Å | |
C39 | H83 | sing | 1.09Å | 1.10Å | |
C39 | H84 | sing | 1.09Å | 1.10Å | |
C39 | H85 | sing | 1.09Å | 1.10Å | |
N42 | H86 | sing | 0.97Å | 1.00Å | |
C47 | H87 | sing | 1.09Å | 1.10Å | |
C47 | H88 | sing | 1.09Å | 1.10Å | |
C47 | H89 | sing | 1.09Å | 1.10Å | |
C48 | H90 | sing | 1.09Å | 1.10Å | |
C48 | H91 | sing | 1.09Å | 1.10Å | |
C48 | H92 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | C4 | 119.2° | 122.0° |
C2 | C1 | C40 | 118.0° | 119.0° |
C1 | C2 | C3 | 121.0° | 122.0° |
C1 | C2 | H49 | 119.5° | 119.1° |
C4 | C1 | C40 | 122.8° | 119.0° |
C1 | C4 | C5 | 119.4° | 116.3° |
C1 | C4 | H51 | 120.3° | 121.8° |
C1 | C40 | O41 | 121.6° | 120.0° |
C1 | C40 | N42 | 117.2° | 120.0° |
C2 | C3 | C6 | 120.6° | 116.7° |
C3 | C2 | H49 | 119.5° | 118.9° |
C2 | C3 | H50 | 119.7° | 121.5° |
C3 | C6 | C5 | 118.1° | 121.7° |
C3 | C6 | C7 | 134.7° | 132.2° |
C6 | C3 | H50 | 119.7° | 121.8° |
C4 | C5 | C6 | 121.6° | 121.3° |
C4 | C5 | N9 | 129.5° | 130.6° |
C5 | C4 | H51 | 120.3° | 121.9° |
C6 | C5 | N9 | 108.9° | 108.0° |
C5 | C6 | C7 | 107.2° | 106.2° |
C5 | N9 | C8 | 108.5° | 108.1° |
C5 | N9 | C10 | 126.1° | 118.0° |
C6 | C7 | C8 | 107.6° | 108.5° |
C6 | C7 | C11 | 126.8° | 123.0° |
C8 | C7 | C11 | 125.6° | 128.5° |
C7 | C8 | N9 | 107.8° | 108.9° |
C7 | C8 | C18 | 131.4° | 121.5° |
C7 | C11 | C12 | 111.2° | 109.5° |
C7 | C11 | C16 | 110.7° | 109.5° |
C7 | C11 | H54 | 108.8° | 109.5° |
N9 | C8 | C18 | 120.6° | 129.5° |
C8 | N9 | C10 | 125.5° | 133.9° |
C8 | C18 | C17 | 120.8° | 123.9° |
C8 | C18 | C19 | 119.5° | 117.7° |
N9 | C10 | C25 | 105.7° | 117.1° |
N9 | C10 | H52 | 110.4° | 108.3° |
N9 | C10 | H53 | 110.4° | 107.7° |
C10 | C25 | C26 | 117.2° | 125.2° |
C10 | C25 | C27 | 117.7° | 109.5° |
C10 | C25 | C28 | 114.4° | 115.6° |
C25 | C10 | H52 | 110.4° | 108.2° |
C25 | C10 | H53 | 110.4° | 107.8° |
C12 | C11 | C16 | 109.6° | 109.4° |
C11 | C12 | C13 | 111.1° | 109.5° |
C12 | C11 | H54 | 108.2° | 109.5° |
C11 | C12 | H55 | 109.1° | 109.5° |
C11 | C12 | H56 | 109.1° | 109.4° |
C11 | C16 | C15 | 111.6° | 109.5° |
C16 | C11 | H54 | 108.2° | 109.5° |
C11 | C16 | H63 | 108.9° | 109.4° |
C11 | C16 | H64 | 108.9° | 109.5° |
C12 | C13 | C14 | 111.4° | 109.5° |
C13 | C12 | H55 | 109.1° | 109.5° |
C13 | C12 | H56 | 109.0° | 109.5° |
C12 | C13 | H57 | 109.0° | 109.5° |
C12 | C13 | H58 | 109.0° | 109.5° |
C13 | C14 | C15 | 110.1° | 109.5° |
C14 | C13 | H57 | 109.0° | 109.5° |
C14 | C13 | H58 | 109.0° | 109.4° |
C13 | C14 | H59 | 109.3° | 109.4° |
C13 | C14 | H60 | 109.3° | 109.5° |
C14 | C15 | C16 | 111.1° | 109.5° |
C15 | C14 | H59 | 109.3° | 109.5° |
C15 | C14 | H60 | 109.3° | 109.5° |
C14 | C15 | H61 | 109.0° | 109.5° |
C14 | C15 | H62 | 109.1° | 109.5° |
C16 | C15 | H61 | 109.1° | 109.5° |
C16 | C15 | H62 | 109.1° | 109.5° |
C15 | C16 | H63 | 108.9° | 109.5° |
C15 | C16 | H64 | 108.9° | 109.4° |
C18 | C17 | C22 | 119.4° | 119.1° |
C18 | C17 | C26 | 126.1° | 123.2° |
C17 | C18 | C19 | 119.7° | 118.3° |
C22 | C17 | C26 | 114.5° | 117.6° |
C17 | C22 | C21 | 120.3° | 121.6° |
C17 | C22 | H67 | 119.9° | 119.2° |
C17 | C26 | C25 | 122.4° | 122.9° |
C17 | C26 | C27 | 117.8° | 150.2° |
C17 | C26 | H29 | 115.5° | 102.8° |
C18 | C19 | C20 | 120.7° | 121.7° |
C18 | C19 | H65 | 119.7° | 120.5° |
C19 | C20 | C21 | 119.7° | 119.5° |
C20 | C19 | H65 | 119.7° | 117.7° |
C19 | C20 | H66 | 120.2° | 120.1° |
C20 | C21 | C22 | 120.3° | 119.5° |
C20 | C21 | O23 | 115.3° | 120.4° |
C21 | C20 | H66 | 120.2° | 120.4° |
C22 | C21 | O23 | 124.3° | 120.1° |
C21 | C22 | H67 | 119.9° | 119.2° |
C21 | O23 | C24 | 118.5° | 117.0° |
O23 | C24 | H68 | 109.5° | 109.5° |
O23 | C24 | H69 | 109.5° | 109.5° |
O23 | C24 | H70 | 109.5° | 109.5° |
C26 | C25 | C27 | 58.9° | 55.7° |
C26 | C25 | C28 | 119.0° | 117.3° |
C25 | C26 | C27 | 59.5° | 64.2° |
C25 | C26 | H29 | 114.7° | 109.4° |
C27 | C25 | C28 | 118.6° | 117.5° |
C25 | C27 | C26 | 61.6° | 60.1° |
C25 | C27 | H71 | 119.7° | 117.5° |
C25 | C27 | H72 | 119.8° | 117.9° |
C25 | C28 | N30 | 122.4° | 120.0° |
C25 | C28 | O31 | 116.5° | 120.0° |
C27 | C26 | H29 | 115.3° | 100.9° |
C26 | C27 | H71 | 119.7° | 117.3° |
C26 | C27 | H72 | 119.7° | 117.4° |
N30 | C28 | O31 | 120.8° | 120.0° |
C28 | N30 | C32 | 127.9° | 128.5° |
C28 | N30 | C36 | 132.0° | 128.4° |
C32 | N30 | C36 | 99.8° | 103.1° |
N30 | C32 | C33 | 110.2° | 107.0° |
N30 | C32 | C37 | 101.2° | 104.0° |
N30 | C32 | H73 | 111.3° | 112.4° |
N30 | C36 | C35 | 111.7° | 107.2° |
N30 | C36 | C38 | 102.6° | 104.0° |
N30 | C36 | H78 | 111.0° | 112.4° |
C33 | C32 | C37 | 112.5° | 107.6° |
C32 | C33 | N34 | 113.7° | 109.0° |
C33 | C32 | H73 | 110.7° | 112.3° |
C32 | C33 | H74 | 108.4° | 109.5° |
C32 | C33 | H75 | 108.4° | 109.5° |
C32 | C37 | C38 | 102.8° | 104.5° |
C37 | C32 | H73 | 110.6° | 113.0° |
C32 | C37 | H79 | 111.1° | 110.4° |
C32 | C37 | H80 | 111.1° | 110.4° |
C33 | N34 | C35 | 111.3° | 111.6° |
C33 | N34 | C39 | 110.9° | 111.0° |
N34 | C33 | H74 | 108.4° | 109.6° |
N34 | C33 | H75 | 108.4° | 109.6° |
C35 | N34 | C39 | 110.6° | 111.0° |
N34 | C35 | C36 | 109.0° | 109.0° |
N34 | C35 | H76 | 109.6° | 109.5° |
N34 | C35 | H77 | 109.6° | 109.6° |
N34 | C39 | H83 | 109.5° | 109.5° |
N34 | C39 | H84 | 109.5° | 109.5° |
N34 | C39 | H85 | 109.5° | 109.5° |
C35 | C36 | C38 | 110.4° | 107.6° |
C36 | C35 | H76 | 109.6° | 109.6° |
C36 | C35 | H77 | 109.6° | 109.5° |
C35 | C36 | H78 | 110.6° | 112.1° |
C36 | C38 | C37 | 104.2° | 104.5° |
C38 | C36 | H78 | 110.2° | 112.9° |
C36 | C38 | H81 | 110.8° | 110.4° |
C36 | C38 | H82 | 110.8° | 110.4° |
C38 | C37 | H79 | 111.1° | 110.5° |
C38 | C37 | H80 | 111.1° | 110.4° |
C37 | C38 | H81 | 110.8° | 110.4° |
C37 | C38 | H82 | 110.8° | 110.6° |
O41 | C40 | N42 | 121.2° | 120.0° |
C40 | N42 | S43 | 129.0° | 120.0° |
C40 | N42 | H86 | 115.5° | 120.0° |
N42 | S43 | N44 | 103.0° | 107.3° |
N42 | S43 | O45 | 107.2° | 106.3° |
N42 | S43 | O46 | 106.2° | 106.4° |
S43 | N42 | H86 | 115.5° | 120.1° |
N44 | S43 | O45 | 109.2° | 106.4° |
N44 | S43 | O46 | 110.8° | 106.4° |
S43 | N44 | C47 | 118.6° | 120.0° |
S43 | N44 | C48 | 119.1° | 120.1° |
O45 | S43 | O46 | 119.1° | 123.2° |
C47 | N44 | C48 | 114.8° | 120.0° |
N44 | C47 | H87 | 109.5° | 109.4° |
N44 | C47 | H88 | 109.4° | 109.5° |
N44 | C47 | H89 | 109.4° | 109.5° |
N44 | C48 | H90 | 109.5° | 109.4° |
N44 | C48 | H91 | 109.5° | 109.5° |
N44 | C48 | H92 | 109.5° | 109.5° |
H52 | C10 | H53 | 109.4° | 107.4° |
H55 | C12 | H56 | 109.5° | 109.4° |
H57 | C13 | H58 | 109.5° | 109.5° |
H59 | C14 | H60 | 109.5° | 109.5° |
H61 | C15 | H62 | 109.5° | 109.4° |
H63 | C16 | H64 | 109.5° | 109.5° |
H68 | C24 | H69 | 109.4° | 109.4° |
H68 | C24 | H70 | 109.4° | 109.4° |
H69 | C24 | H70 | 109.5° | 109.5° |
H71 | C27 | H72 | 109.5° | 115.5° |
H74 | C33 | H75 | 109.4° | 109.6° |
H76 | C35 | H77 | 109.5° | 109.6° |
H79 | C37 | H80 | 109.5° | 110.5° |
H81 | C38 | H82 | 109.4° | 110.5° |
H83 | C39 | H84 | 109.5° | 109.5° |
H83 | C39 | H85 | 109.4° | 109.4° |
H84 | C39 | H85 | 109.5° | 109.4° |
H87 | C47 | H88 | 109.5° | 109.4° |
H87 | C47 | H89 | 109.4° | 109.5° |
H88 | C47 | H89 | 109.5° | 109.5° |
H90 | C48 | H91 | 109.5° | 109.4° |
H90 | C48 | H92 | 109.5° | 109.5° |
H91 | C48 | H92 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | C4 | C40 | 177.9° | 179.7° |
C1 | C2 | C3 | H49 | 180.0° | 179.8° |
C1 | C2 | C3 | C6 | 2.2° | 0.2° |
C2 | C1 | C4 | C5 | 1.8° | 0.4° |
C2 | C1 | C40 | O41 | 8.7° | 179.9° |
C2 | C1 | C40 | N42 | 174.2° | 0.0° |
C1 | C2 | C3 | H50 | 177.8° | 179.8° |
C2 | C1 | C4 | H51 | 178.2° | 179.6° |
C4 | C1 | C2 | C3 | 2.5° | 0.8° |
C1 | C4 | C5 | H51 | 180.0° | 180.0° |
C1 | C4 | C5 | C6 | 0.9° | 0.6° |
C1 | C4 | C5 | N9 | 178.9° | 179.2° |
C4 | C1 | C40 | O41 | 169.2° | 0.4° |
C4 | C1 | C40 | N42 | 7.9° | 179.7° |
C4 | C1 | C2 | H49 | 177.5° | 179.0° |
C40 | C1 | C2 | C3 | 179.6° | 178.9° |
C40 | C1 | C4 | C5 | 179.6° | 179.3° |
C1 | C40 | O41 | N42 | 177.1° | 179.9° |
C1 | C40 | N42 | S43 | 178.7° | 179.9° |
C40 | C1 | C2 | H49 | 0.4° | 1.3° |
C40 | C1 | C4 | H51 | 0.4° | 0.7° |
C1 | C40 | N42 | H86 | 1.3° | 0.0° |
C2 | C3 | C6 | H50 | 180.0° | 179.6° |
C2 | C3 | C6 | C5 | 1.3° | 0.8° |
C2 | C3 | C6 | C7 | 178.1° | 178.8° |
C3 | C6 | C5 | C4 | 0.7° | 1.2° |
C3 | C6 | C5 | C7 | 179.6° | 179.6° |
C3 | C6 | C5 | N9 | 179.2° | 178.7° |
C3 | C6 | C7 | C8 | 179.4° | 175.7° |
C3 | C6 | C7 | C11 | 3.3° | 7.2° |
C6 | C3 | C2 | H49 | 177.7° | 179.6° |
C4 | C5 | C6 | N9 | 179.9° | 179.8° |
C4 | C5 | C6 | C7 | 178.9° | 178.5° |
C4 | C5 | N9 | C8 | 179.3° | 177.9° |
C4 | C5 | N9 | C10 | 0.9° | 2.7° |
C5 | C6 | C7 | C8 | 1.1° | 4.7° |
C5 | C6 | C7 | C11 | 176.2° | 172.4° |
C6 | C5 | N9 | C8 | 0.9° | 1.9° |
C6 | C5 | N9 | C10 | 179.3° | 177.4° |
C5 | C6 | C3 | H50 | 178.7° | 178.8° |
C6 | C5 | C4 | H51 | 179.1° | 179.4° |
N9 | C5 | C6 | C7 | 1.2° | 1.7° |
C5 | N9 | C8 | C7 | 0.2° | 4.9° |
C5 | N9 | C8 | C10 | 178.4° | 179.2° |
C5 | N9 | C8 | C18 | 176.2° | 173.3° |
C5 | N9 | C10 | C25 | 104.5° | 165.7° |
N9 | C5 | C4 | H51 | 1.1° | 0.8° |
C5 | N9 | C10 | H52 | 14.9° | 71.7° |
C5 | N9 | C10 | H53 | 136.1° | 44.2° |
C6 | C7 | C8 | C11 | 177.4° | 176.9° |
C6 | C7 | C8 | N9 | 0.6° | 6.0° |
C6 | C7 | C8 | C18 | 176.4° | 172.4° |
C6 | C7 | C11 | C12 | 55.4° | 60.0° |
C6 | C7 | C11 | C16 | 66.8° | 59.9° |
C7 | C6 | C3 | H50 | 1.8° | 1.7° |
C6 | C7 | C11 | H54 | 174.5° | 180.0° |
C7 | C8 | N9 | C18 | 176.3° | 178.2° |
C7 | C8 | N9 | C10 | 178.6° | 174.3° |
C8 | C7 | C11 | C12 | 121.5° | 123.5° |
C8 | C7 | C11 | C16 | 116.3° | 116.5° |
C7 | C8 | C18 | C17 | 131.0° | 148.8° |
C7 | C8 | C18 | C19 | 49.0° | 35.4° |
C8 | C7 | C11 | H54 | 2.4° | 3.5° |
C11 | C7 | C8 | N9 | 176.8° | 170.9° |
C11 | C7 | C8 | C18 | 1.0° | 10.8° |
C7 | C11 | C12 | C16 | 122.8° | 120.0° |
C7 | C11 | C12 | H54 | 119.5° | 120.0° |
C7 | C11 | C16 | H54 | 119.1° | 120.0° |
C7 | C11 | C12 | C13 | 178.0° | 180.0° |
C7 | C11 | C16 | C15 | 178.3° | 180.0° |
C7 | C11 | C12 | H55 | 57.7° | 60.0° |
C7 | C11 | C12 | H56 | 61.8° | 60.0° |
C7 | C11 | C16 | H63 | 61.4° | 60.0° |
C7 | C11 | C16 | H64 | 57.9° | 60.0° |
C8 | N9 | C10 | C25 | 73.6° | 13.4° |
N9 | C8 | C18 | C17 | 44.3° | 33.2° |
N9 | C8 | C18 | C19 | 135.6° | 142.6° |
C8 | N9 | C10 | H52 | 166.9° | 109.2° |
C8 | N9 | C10 | H53 | 45.8° | 135.0° |
C18 | C8 | N9 | C10 | 2.2° | 7.5° |
C8 | C18 | C17 | C19 | 180.0° | 175.8° |
C8 | C18 | C17 | C22 | 179.1° | 177.0° |
C8 | C18 | C17 | C26 | 3.7° | 5.2° |
C8 | C18 | C19 | C20 | 179.9° | 177.0° |
C8 | C18 | C19 | H65 | 0.1° | 6.5° |
N9 | C10 | C25 | H52 | 119.4° | 122.6° |
N9 | C10 | C25 | H53 | 119.4° | 121.6° |
N9 | C10 | C25 | C26 | 65.4° | 14.2° |
N9 | C10 | C25 | C27 | 132.7° | 75.4° |
N9 | C10 | C25 | C28 | 80.9° | 149.3° |
N9 | C10 | H52 | H53 | 121.7° | 116.1° |
C10 | C25 | C26 | C17 | 2.1° | 55.9° |
C10 | C25 | C26 | C27 | 107.5° | 90.7° |
C10 | C25 | C26 | C28 | 144.7° | 163.2° |
C10 | C25 | C27 | C28 | 145.0° | 134.4° |
C10 | C25 | C28 | N30 | 102.0° | 65.6° |
C10 | C25 | C28 | O31 | 72.1° | 114.6° |
C25 | C10 | H52 | H53 | 121.7° | 116.1° |
C10 | C25 | C26 | H29 | 146.4° | 176.3° |
C10 | C25 | C27 | H71 | 143.5° | 132.8° |
C10 | C25 | C27 | H72 | 3.3° | 12.7° |
C12 | C11 | C16 | H54 | 117.8° | 120.0° |
C11 | C12 | C13 | H55 | 120.3° | 120.1° |
C11 | C12 | C13 | H56 | 120.3° | 120.0° |
C11 | C12 | C13 | C14 | 57.2° | 60.0° |
C12 | C11 | C16 | C15 | 55.2° | 60.0° |
C11 | C12 | H55 | H56 | 119.3° | 120.0° |
C11 | C12 | C13 | H57 | 177.5° | 180.0° |
C11 | C12 | C13 | H58 | 63.0° | 59.9° |
C12 | C11 | C16 | H63 | 175.5° | 180.0° |
C12 | C11 | C16 | H64 | 65.2° | 59.9° |
C16 | C11 | C12 | C13 | 55.2° | 60.0° |
C11 | C16 | C15 | C14 | 56.9° | 60.0° |
C11 | C16 | C15 | H63 | 120.3° | 120.0° |
C11 | C16 | C15 | H64 | 120.3° | 120.0° |
C16 | C11 | C12 | H55 | 65.1° | 60.0° |
C16 | C11 | C12 | H56 | 175.4° | 180.0° |
C11 | C16 | C15 | H61 | 177.1° | 180.0° |
C11 | C16 | C15 | H62 | 63.4° | 60.0° |
C11 | C16 | H63 | H64 | 119.0° | 120.0° |
C12 | C13 | C14 | H57 | 120.3° | 120.0° |
C12 | C13 | C14 | H58 | 120.3° | 120.0° |
C12 | C13 | C14 | C15 | 57.5° | 60.0° |
C13 | C12 | C11 | H54 | 62.6° | 60.0° |
C13 | C12 | H55 | H56 | 119.2° | 120.0° |
C12 | C13 | H57 | H58 | 119.1° | 120.0° |
C12 | C13 | C14 | H59 | 62.5° | 60.0° |
C12 | C13 | C14 | H60 | 177.6° | 180.0° |
C13 | C14 | C15 | H59 | 120.1° | 119.9° |
C13 | C14 | C15 | H60 | 120.1° | 120.0° |
C13 | C14 | C15 | C16 | 57.1° | 60.0° |
C14 | C13 | C12 | H55 | 63.0° | 60.0° |
C14 | C13 | C12 | H56 | 177.5° | 180.0° |
C14 | C13 | H57 | H58 | 119.1° | 119.9° |
C13 | C14 | H59 | H60 | 119.7° | 120.0° |
C13 | C14 | C15 | H61 | 177.3° | 180.0° |
C13 | C14 | C15 | H62 | 63.2° | 60.1° |
C14 | C15 | C16 | H61 | 120.2° | 120.0° |
C14 | C15 | C16 | H62 | 120.2° | 120.0° |
C15 | C14 | C13 | H57 | 177.8° | 180.0° |
C15 | C14 | C13 | H58 | 62.7° | 60.1° |
C15 | C14 | H59 | H60 | 119.7° | 120.0° |
C14 | C15 | H61 | H62 | 119.3° | 120.0° |
C14 | C15 | C16 | H63 | 177.2° | 180.0° |
C14 | C15 | C16 | H64 | 63.4° | 60.0° |
C15 | C16 | C11 | H54 | 62.6° | 60.0° |
C16 | C15 | C14 | H59 | 63.1° | 60.0° |
C16 | C15 | C14 | H60 | 177.2° | 180.0° |
C16 | C15 | H61 | H62 | 119.3° | 120.0° |
C15 | C16 | H63 | H64 | 119.0° | 120.0° |
C18 | C17 | C22 | C26 | 177.5° | 178.0° |
C17 | C18 | C19 | C20 | 0.0° | 7.0° |
C18 | C17 | C22 | C21 | 1.7° | 3.5° |
C18 | C17 | C26 | C25 | 41.1° | 45.4° |
C18 | C17 | C26 | C27 | 110.9° | 49.5° |
C17 | C18 | C19 | H65 | 179.9° | 169.6° |
C18 | C17 | C22 | H67 | 178.3° | 176.1° |
C18 | C17 | C26 | H29 | 107.2° | 168.9° |
C22 | C17 | C18 | C19 | 0.9° | 7.3° |
C17 | C22 | C21 | C20 | 1.7° | 1.0° |
C17 | C22 | C21 | H67 | 180.0° | 179.6° |
C17 | C22 | C21 | O23 | 175.9° | 178.8° |
C22 | C17 | C26 | C25 | 136.2° | 132.5° |
C22 | C17 | C26 | C27 | 66.4° | 132.6° |
C22 | C17 | C26 | H29 | 75.5° | 9.0° |
C26 | C17 | C18 | C19 | 176.3° | 170.6° |
C26 | C17 | C22 | C21 | 175.8° | 174.5° |
C17 | C26 | C25 | C27 | 105.5° | 146.6° |
C17 | C26 | C25 | H29 | 148.5° | 120.4° |
C17 | C26 | C25 | C28 | 146.7° | 107.3° |
C17 | C26 | C27 | H29 | 142.0° | 141.9° |
C26 | C17 | C22 | H67 | 4.2° | 5.9° |
C17 | C26 | C27 | H71 | 136.9° | 140.7° |
C17 | C26 | C27 | H72 | 3.2° | 3.6° |
C18 | C19 | C20 | H65 | 180.0° | 176.6° |
C18 | C19 | C20 | C21 | 0.1° | 2.5° |
C18 | C19 | C20 | H66 | 179.9° | 177.6° |
C19 | C20 | C21 | H66 | 180.0° | 179.9° |
C19 | C20 | C21 | C22 | 0.8° | 1.5° |
C19 | C20 | C21 | O23 | 177.0° | 178.3° |
C20 | C21 | C22 | O23 | 177.6° | 179.8° |
C20 | C21 | O23 | C24 | 179.7° | 0.0° |
C21 | C20 | C19 | H65 | 179.9° | 174.1° |
C20 | C21 | C22 | H67 | 178.3° | 179.4° |
C22 | C21 | O23 | C24 | 2.6° | 179.9° |
C22 | C21 | C20 | H66 | 179.2° | 178.3° |
O23 | C21 | C20 | H66 | 3.0° | 1.9° |
O23 | C21 | C22 | H67 | 4.1° | 0.8° |
C21 | O23 | C24 | H68 | 180.0° | 180.0° |
C21 | O23 | C24 | H69 | 60.0° | 60.0° |
C21 | O23 | C24 | H70 | 60.0° | 60.0° |
O23 | C24 | H68 | H69 | 120.0° | 120.0° |
O23 | C24 | H68 | H70 | 120.0° | 120.0° |
O23 | C24 | H69 | H70 | 120.0° | 120.0° |
C26 | C25 | C27 | C28 | 108.5° | 105.7° |
C25 | C26 | C27 | H29 | 104.9° | 106.4° |
C26 | C25 | C28 | N30 | 43.6° | 129.6° |
C26 | C25 | C28 | O31 | 142.3° | 50.3° |
C26 | C25 | C10 | H52 | 175.2° | 136.9° |
C26 | C25 | C10 | H53 | 54.0° | 107.3° |
C26 | C25 | C27 | H71 | 109.9° | 107.3° |
C26 | C25 | C27 | H72 | 109.9° | 107.2° |
C27 | C25 | C28 | N30 | 111.9° | 66.1° |
C27 | C25 | C28 | O31 | 74.0° | 113.8° |
C27 | C25 | C10 | H52 | 107.9° | 162.0° |
C27 | C25 | C10 | H53 | 13.3° | 46.2° |
C25 | C27 | H71 | H72 | 143.9° | 146.3° |
C25 | C28 | N30 | O31 | 173.8° | 179.9° |
C25 | C28 | N30 | C32 | 176.3° | 175.0° |
C25 | C28 | N30 | C36 | 12.2° | 4.5° |
C28 | C25 | C10 | H52 | 38.6° | 26.6° |
C28 | C25 | C10 | H53 | 159.7° | 89.2° |
C28 | C25 | C26 | H29 | 1.8° | 13.1° |
C28 | C25 | C27 | H71 | 1.4° | 1.6° |
C28 | C25 | C27 | H72 | 141.7° | 147.1° |
C26 | C27 | H71 | H72 | 143.8° | 145.0° |
C28 | N30 | C32 | C36 | 173.5° | 179.6° |
C28 | N30 | C32 | C33 | 121.1° | 109.0° |
C28 | N30 | C32 | C37 | 119.7° | 137.3° |
C28 | N30 | C36 | C35 | 116.1° | 108.9° |
C28 | N30 | C36 | C38 | 125.6° | 137.3° |
C28 | N30 | C32 | H73 | 2.2° | 14.8° |
C28 | N30 | C36 | H78 | 8.0° | 14.8° |
O31 | C28 | N30 | C32 | 9.9° | 5.1° |
O31 | C28 | N30 | C36 | 161.6° | 175.3° |
N30 | C32 | C33 | C37 | 112.1° | 111.3° |
N30 | C32 | C33 | H73 | 123.6° | 123.8° |
N30 | C32 | C37 | H73 | 118.0° | 122.2° |
N30 | C32 | C33 | N34 | 58.6° | 63.5° |
C32 | N30 | C36 | C35 | 70.8° | 70.8° |
C32 | N30 | C36 | C38 | 47.5° | 43.1° |
N30 | C32 | C37 | C38 | 38.7° | 26.0° |
N30 | C32 | C33 | H74 | 179.2° | 176.6° |
N30 | C32 | C33 | H75 | 62.0° | 56.4° |
C32 | N30 | C36 | H78 | 165.2° | 165.5° |
N30 | C32 | C37 | H79 | 80.2° | 92.9° |
N30 | C32 | C37 | H80 | 157.6° | 144.7° |
C36 | N30 | C32 | C33 | 65.4° | 70.7° |
C36 | N30 | C32 | C37 | 53.9° | 43.1° |
N30 | C36 | C35 | N34 | 64.7° | 63.4° |
N30 | C36 | C35 | C38 | 113.5° | 111.4° |
N30 | C36 | C35 | H78 | 124.2° | 123.9° |
N30 | C36 | C38 | H78 | 118.3° | 122.2° |
N30 | C36 | C38 | C37 | 23.0° | 26.0° |
C36 | N30 | C32 | H73 | 171.3° | 165.6° |
N30 | C36 | C35 | H76 | 175.4° | 176.7° |
N30 | C36 | C35 | H77 | 55.2° | 56.5° |
N30 | C36 | C38 | H81 | 142.2° | 144.7° |
N30 | C36 | C38 | H82 | 96.1° | 92.9° |
C33 | C32 | C37 | H73 | 124.4° | 124.6° |
C32 | C33 | N34 | H74 | 120.7° | 119.8° |
C32 | C33 | N34 | H75 | 120.6° | 119.9° |
C32 | C33 | N34 | C35 | 47.5° | 55.2° |
C32 | C33 | N34 | C39 | 171.1° | 179.6° |
C33 | C32 | C37 | C38 | 78.9° | 87.3° |
C32 | C33 | H74 | H75 | 118.1° | 120.2° |
C33 | C32 | C37 | H79 | 162.2° | 153.9° |
C33 | C32 | C37 | H80 | 40.0° | 31.4° |
C37 | C32 | C33 | N34 | 53.5° | 47.7° |
C32 | C37 | C38 | C36 | 9.3° | 0.0° |
C32 | C37 | C38 | H79 | 118.9° | 118.8° |
C32 | C37 | C38 | H80 | 119.0° | 118.7° |
C37 | C32 | C33 | H74 | 67.1° | 72.1° |
C37 | C32 | C33 | H75 | 174.1° | 167.6° |
C32 | C37 | H79 | H80 | 123.1° | 122.4° |
C32 | C37 | C38 | H81 | 109.9° | 118.7° |
C32 | C37 | C38 | H82 | 128.5° | 118.8° |
C33 | N34 | C35 | C39 | 123.7° | 124.4° |
C33 | N34 | C35 | C36 | 48.7° | 55.1° |
N34 | C33 | C32 | H73 | 177.8° | 172.7° |
N34 | C33 | H74 | H75 | 118.0° | 120.3° |
C33 | N34 | C35 | H76 | 168.6° | 175.0° |
C33 | N34 | C35 | H77 | 71.3° | 64.7° |
C33 | N34 | C39 | H83 | 180.0° | 59.9° |
C33 | N34 | C39 | H84 | 60.0° | 180.0° |
C33 | N34 | C39 | H85 | 60.0° | 60.1° |
N34 | C35 | C36 | H76 | 119.9° | 119.9° |
N34 | C35 | C36 | H77 | 119.9° | 119.8° |
N34 | C35 | C36 | C38 | 48.8° | 48.0° |
C35 | N34 | C33 | H74 | 168.2° | 175.0° |
C35 | N34 | C33 | H75 | 73.1° | 64.6° |
N34 | C35 | H76 | H77 | 120.2° | 120.3° |
N34 | C35 | C36 | H78 | 171.1° | 172.7° |
C35 | N34 | C39 | H83 | 56.0° | 64.8° |
C35 | N34 | C39 | H84 | 176.1° | 55.3° |
C35 | N34 | C39 | H85 | 63.9° | 175.2° |
C39 | N34 | C35 | C36 | 172.4° | 179.5° |
C39 | N34 | C33 | H74 | 68.3° | 60.6° |
C39 | N34 | C33 | H75 | 50.4° | 59.7° |
C39 | N34 | C35 | H76 | 67.7° | 60.6° |
C39 | N34 | C35 | H77 | 52.5° | 59.7° |
N34 | C39 | H83 | H84 | 120.0° | 120.0° |
N34 | C39 | H83 | H85 | 120.0° | 120.0° |
N34 | C39 | H84 | H85 | 120.0° | 120.0° |
C35 | C36 | C38 | H78 | 122.5° | 124.3° |
C35 | C36 | C38 | C37 | 96.2° | 87.5° |
C36 | C35 | H76 | H77 | 120.2° | 120.2° |
C35 | C36 | C38 | H81 | 23.0° | 31.1° |
C35 | C36 | C38 | H82 | 144.7° | 153.5° |
C36 | C38 | C37 | H81 | 119.2° | 118.7° |
C36 | C38 | C37 | H82 | 119.2° | 118.8° |
C38 | C36 | C35 | H76 | 71.1° | 71.9° |
C38 | C36 | C35 | H77 | 168.8° | 167.8° |
C36 | C38 | C37 | H79 | 109.6° | 118.8° |
C36 | C38 | C37 | H80 | 128.3° | 118.7° |
C36 | C38 | H81 | H82 | 122.4° | 122.4° |
C38 | C37 | C32 | H73 | 156.7° | 148.2° |
C37 | C38 | C36 | H78 | 141.3° | 148.2° |
C38 | C37 | H79 | H80 | 123.1° | 122.5° |
C37 | C38 | H81 | H82 | 122.4° | 122.6° |
O41 | C40 | N42 | S43 | 1.5° | 0.0° |
O41 | C40 | N42 | H86 | 178.5° | 179.9° |
C40 | N42 | S43 | H86 | 180.0° | 180.0° |
C40 | N42 | S43 | N44 | 72.3° | 65.0° |
C40 | N42 | S43 | O45 | 172.5° | 178.6° |
C40 | N42 | S43 | O46 | 44.1° | 48.5° |
N42 | S43 | N44 | O45 | 113.7° | 113.5° |
N42 | S43 | N44 | O46 | 113.2° | 113.5° |
N42 | S43 | O45 | O46 | 120.4° | 122.9° |
N42 | S43 | N44 | C47 | 112.2° | 89.9° |
N42 | S43 | N44 | C48 | 36.2° | 90.0° |
N44 | S43 | O45 | O46 | 128.6° | 123.0° |
S43 | N44 | C47 | C48 | 149.7° | 179.9° |
N44 | S43 | N42 | H86 | 107.7° | 115.0° |
S43 | N44 | C47 | H87 | 180.0° | 90.1° |
S43 | N44 | C47 | H88 | 60.0° | 150.0° |
S43 | N44 | C47 | H89 | 60.0° | 30.0° |
S43 | N44 | C48 | H90 | 180.0° | 0.0° |
S43 | N44 | C48 | H91 | 60.0° | 119.9° |
S43 | N44 | C48 | H92 | 60.0° | 120.0° |
O45 | S43 | N44 | C47 | 134.1° | 23.5° |
O45 | S43 | N44 | C48 | 77.5° | 156.5° |
O45 | S43 | N42 | H86 | 7.5° | 1.4° |
O46 | S43 | N44 | C47 | 0.9° | 156.5° |
O46 | S43 | N44 | C48 | 149.4° | 23.5° |
O46 | S43 | N42 | H86 | 135.9° | 131.5° |
N44 | C47 | H87 | H88 | 120.0° | 119.9° |
N44 | C47 | H87 | H89 | 120.0° | 120.1° |
N44 | C47 | H88 | H89 | 120.0° | 120.1° |
C47 | N44 | C48 | H90 | 30.4° | 179.9° |
C47 | N44 | C48 | H91 | 150.4° | 60.0° |
C47 | N44 | C48 | H92 | 89.6° | 60.0° |
C48 | N44 | C47 | H87 | 30.3° | 90.0° |
C48 | N44 | C47 | H88 | 89.7° | 29.9° |
C48 | N44 | C47 | H89 | 150.2° | 150.0° |
N44 | C48 | H90 | H91 | 120.0° | 119.9° |
N44 | C48 | H90 | H92 | 120.0° | 120.0° |
N44 | C48 | H91 | H92 | 120.0° | 120.0° |
H49 | C2 | C3 | H50 | 2.2° | 0.0° |
H54 | C11 | C12 | H55 | 177.2° | NaN° |
H54 | C11 | C12 | H56 | 57.7° | 60.0° |
H54 | C11 | C16 | H63 | 57.7° | 60.0° |
H54 | C11 | C16 | H64 | 177.0° | 179.9° |
H55 | C12 | C13 | H57 | 57.3° | 60.0° |
H55 | C12 | C13 | H58 | 176.7° | 180.0° |
H56 | C12 | C13 | H57 | 62.2° | 60.0° |
H56 | C12 | C13 | H58 | 57.2° | 60.0° |
H57 | C13 | C14 | H59 | 57.7° | 60.1° |
H57 | C13 | C14 | H60 | 62.1° | 60.0° |
H58 | C13 | C14 | H59 | 177.2° | 180.0° |
H58 | C13 | C14 | H60 | 57.4° | 60.0° |
H59 | C14 | C15 | H61 | 57.2° | 60.0° |
H59 | C14 | C15 | H62 | 176.7° | 180.0° |
H60 | C14 | C15 | H61 | 62.6° | 60.0° |
H60 | C14 | C15 | H62 | 56.9° | 60.0° |
H61 | C15 | C16 | H63 | 62.6° | 60.0° |
H61 | C15 | C16 | H64 | 56.8° | 60.0° |
H62 | C15 | C16 | H63 | 57.0° | 60.0° |
H62 | C15 | C16 | H64 | 176.3° | 180.0° |
H65 | C19 | C20 | H66 | 0.1° | 5.8° |
H68 | C24 | H69 | H70 | 119.9° | 119.9° |
H29 | C26 | C27 | H71 | 5.0° | 1.2° |
H29 | C26 | C27 | H72 | 145.2° | 145.5° |
H73 | C32 | C33 | H74 | 57.2° | 52.9° |
H73 | C32 | C33 | H75 | 61.6° | 67.4° |
H73 | C32 | C37 | H79 | 37.8° | 29.3° |
H73 | C32 | C37 | H80 | 84.4° | 93.1° |
H76 | C35 | C36 | H78 | 51.2° | 52.8° |
H77 | C35 | C36 | H78 | 69.0° | 67.4° |
H78 | C36 | C38 | H81 | 99.5° | 93.2° |
H78 | C36 | C38 | H82 | 22.1° | 29.3° |
H79 | C37 | C38 | H81 | 131.2° | 122.6° |
H79 | C37 | C38 | H82 | 9.6° | 0.0° |
H80 | C37 | C38 | H81 | 9.1° | 0.0° |
H80 | C37 | C38 | H82 | 112.6° | 122.5° |
H83 | C39 | H84 | H85 | 120.0° | 119.9° |
H87 | C47 | H88 | H89 | 120.0° | 120.0° |
H90 | C48 | H91 | H92 | 120.0° | 120.1° |