7KQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O34 | S32 | doub | 1.42Å | 1.44Å | |
C37 | C33 | sing | 1.53Å | 1.47Å | |
C37 | C36 | sing | 1.53Å | 1.47Å | |
C33 | S32 | sing | 1.81Å | 1.79Å | |
C33 | C36 | sing | 1.53Å | 1.47Å | |
C25 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
S32 | C24 | sing | 1.76Å | 1.77Å | |
S32 | O35 | doub | 1.42Å | 1.44Å | |
C26 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
C24 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
C27 | N28 | sing | 1.39Å | 1.41Å | |
C27 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
C23 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
C23 | C29 | sing | 1.51Å | 1.51Å | |
N28 | C39 | sing | 1.33Å | 1.35Å | |
C29 | N30 | sing | 1.48Å | 1.47Å | |
O40 | C39 | sing | 1.34Å | 1.35Å | |
O40 | C42 | sing | 1.45Å | 1.45Å | |
O21 | C9 | doub | 1.21Å | 1.22Å | |
C39 | O41 | doub | 1.22Å | 1.21Å | |
C38 | C42 | sing | 1.53Å | 1.53Å | |
C38 | C5 | sing | 1.51Å | 1.51Å | |
C9 | N30 | sing | 1.37Å | 1.35Å | |
C9 | C7 | sing | 1.51Å | 1.52Å | |
N30 | C31 | sing | 1.46Å | 1.46Å | |
C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
N8 | C7 | sing | 1.46Å | 1.45Å | |
N8 | C17 | sing | 1.39Å | 1.40Å | |
C7 | C3 | sing | 1.51Å | 1.52Å | |
C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
C18 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
C18 | C19 | sing | 1.36Å | 1.36Å | Aromatic |
C6 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
C19 | C14 | doub | 1.40Å | 1.42Å | Aromatic |
C16 | C13 | doub | 1.40Å | 1.42Å | Aromatic |
C14 | C13 | sing | 1.42Å | 1.43Å | Aromatic |
C14 | C15 | sing | 1.41Å | 1.45Å | Aromatic |
C13 | C12 | sing | 1.41Å | 1.42Å | Aromatic |
N20 | C15 | sing | 1.38Å | 1.35Å | |
C15 | N10 | doub | 1.32Å | 1.38Å | Aromatic |
C12 | C11 | doub | 1.36Å | 1.36Å | Aromatic |
N10 | C11 | sing | 1.33Å | 1.34Å | Aromatic |
C18 | H52 | sing | 1.08Å | 1.08Å | |
C16 | H51 | sing | 1.08Å | 1.08Å | |
C19 | H53 | sing | 1.08Å | 1.08Å | |
C22 | H56 | sing | 1.08Å | 1.08Å | |
C11 | H49 | sing | 1.08Å | 1.08Å | |
C12 | H50 | sing | 1.08Å | 1.08Å | |
C33 | H65 | sing | 1.09Å | 1.10Å | |
C1 | H43 | sing | 1.08Å | 1.08Å | |
C2 | H44 | sing | 1.08Å | 1.08Å | |
C4 | H45 | sing | 1.08Å | 1.08Å | |
C6 | H46 | sing | 1.08Å | 1.08Å | |
C7 | H47 | sing | 1.09Å | 1.10Å | |
N8 | H48 | sing | 0.97Å | 1.00Å | |
N20 | H54 | sing | 0.97Å | 1.00Å | |
N20 | H55 | sing | 0.97Å | 1.00Å | |
C25 | H57 | sing | 1.08Å | 1.08Å | |
C26 | H58 | sing | 1.08Å | 1.08Å | |
N28 | H59 | sing | 0.97Å | 1.00Å | |
C29 | H60 | sing | 1.09Å | 1.10Å | |
C29 | H61 | sing | 1.09Å | 1.10Å | |
C31 | H63 | sing | 1.09Å | 1.10Å | |
C31 | H64 | sing | 1.09Å | 1.10Å | |
C31 | H62 | sing | 1.09Å | 1.10Å | |
C36 | H67 | sing | 1.09Å | 1.10Å | |
C36 | H66 | sing | 1.09Å | 1.10Å | |
C37 | H69 | sing | 1.09Å | 1.10Å | |
C37 | H68 | sing | 1.09Å | 1.10Å | |
C38 | H70 | sing | 1.09Å | 1.10Å | |
C38 | H71 | sing | 1.09Å | 1.10Å | |
C42 | H73 | sing | 1.09Å | 1.10Å | |
C42 | H72 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O34 | S32 | C33 | 107.7° | 110.5° |
O34 | S32 | C24 | 107.7° | 104.3° |
O34 | S32 | O35 | 118.5° | 121.0° |
C33 | C37 | C36 | 60.1° | 60.0° |
C37 | C33 | S32 | 120.4° | 117.5° |
C37 | C33 | C36 | 59.9° | 60.0° |
C37 | C33 | H65 | 117.2° | 117.5° |
C33 | C37 | H69 | 120.0° | 117.5° |
C33 | C37 | H68 | 120.0° | 117.5° |
C37 | C36 | C33 | 60.0° | 60.0° |
C37 | C36 | H67 | 120.0° | 117.5° |
C37 | C36 | H66 | 120.0° | 117.6° |
C36 | C37 | H69 | 120.0° | 117.5° |
C36 | C37 | H68 | 120.0° | 117.5° |
S32 | C33 | C36 | 121.1° | 117.6° |
C33 | S32 | C24 | 103.4° | 104.5° |
C33 | S32 | O35 | 108.3° | 110.5° |
S32 | C33 | H65 | 112.0° | 115.5° |
C36 | C33 | H65 | 117.1° | 117.5° |
C33 | C36 | H67 | 120.0° | 117.5° |
C33 | C36 | H66 | 120.0° | 117.6° |
C26 | C25 | C24 | 120.1° | 120.2° |
C25 | C26 | C27 | 120.2° | 120.0° |
C26 | C25 | H57 | 120.0° | 119.9° |
C25 | C26 | H58 | 119.9° | 119.9° |
C25 | C24 | S32 | 114.6° | 120.0° |
C25 | C24 | C23 | 121.3° | 120.0° |
C24 | C25 | H57 | 119.9° | 119.9° |
C24 | S32 | O35 | 110.3° | 104.3° |
S32 | C24 | C23 | 124.0° | 120.0° |
C26 | C27 | N28 | 113.6° | 119.4° |
C26 | C27 | C22 | 119.6° | 119.6° |
C27 | C26 | H58 | 119.9° | 120.0° |
C24 | C23 | C22 | 117.2° | 120.1° |
C24 | C23 | C29 | 123.2° | 119.3° |
N28 | C27 | C22 | 126.8° | 121.1° |
C27 | N28 | C39 | 128.4° | 124.3° |
C27 | N28 | H59 | 115.8° | 117.8° |
C27 | C22 | C23 | 121.5° | 120.2° |
C27 | C22 | H56 | 119.3° | 119.9° |
C22 | C23 | C29 | 119.6° | 120.6° |
C23 | C22 | H56 | 119.3° | 119.9° |
C23 | C29 | N30 | 113.8° | 108.1° |
C23 | C29 | H60 | 108.4° | 109.8° |
C23 | C29 | H61 | 108.4° | 109.7° |
N28 | C39 | O40 | 107.9° | 122.1° |
N28 | C39 | O41 | 126.9° | 119.0° |
C39 | N28 | H59 | 115.8° | 117.8° |
C29 | N30 | C9 | 117.0° | 113.6° |
C29 | N30 | C31 | 116.9° | 123.2° |
N30 | C29 | H60 | 108.4° | 109.7° |
N30 | C29 | H61 | 108.4° | 109.7° |
C39 | O40 | C42 | 116.6° | 116.6° |
O40 | C39 | O41 | 125.2° | 118.9° |
O40 | C42 | C38 | 110.0° | 109.2° |
O40 | C42 | H73 | 109.3° | 109.5° |
O40 | C42 | H72 | 109.3° | 109.5° |
O21 | C9 | N30 | 120.8° | 120.6° |
O21 | C9 | C7 | 117.5° | 120.6° |
C42 | C38 | C5 | 112.4° | 109.0° |
C42 | C38 | H70 | 108.7° | 109.6° |
C42 | C38 | H71 | 108.7° | 109.6° |
C38 | C42 | H73 | 109.3° | 109.5° |
C38 | C42 | H72 | 109.3° | 109.6° |
C38 | C5 | C4 | 121.0° | 120.1° |
C38 | C5 | C6 | 120.5° | 119.8° |
C5 | C38 | H70 | 108.7° | 109.5° |
C5 | C38 | H71 | 108.7° | 109.5° |
N30 | C9 | C7 | 121.7° | 118.8° |
C9 | N30 | C31 | 126.2° | 123.2° |
C9 | C7 | N8 | 110.3° | 109.6° |
C9 | C7 | C3 | 112.2° | 108.4° |
C9 | C7 | H47 | 106.8° | 109.8° |
N30 | C31 | H63 | 109.5° | 109.4° |
N30 | C31 | H64 | 109.5° | 109.4° |
N30 | C31 | H62 | 109.5° | 109.5° |
C5 | C4 | C3 | 121.0° | 119.9° |
C4 | C5 | C6 | 118.5° | 120.2° |
C5 | C4 | H45 | 119.5° | 120.0° |
C4 | C3 | C7 | 120.7° | 119.5° |
C4 | C3 | C2 | 119.1° | 120.2° |
C3 | C4 | H45 | 119.5° | 120.1° |
C5 | C6 | C1 | 120.9° | 119.9° |
C5 | C6 | H46 | 119.6° | 120.0° |
C7 | N8 | C17 | 124.0° | 120.0° |
N8 | C7 | C3 | 112.7° | 109.7° |
N8 | C7 | H47 | 107.7° | 109.7° |
C7 | N8 | H48 | 105.7° | 120.0° |
N8 | C17 | C18 | 118.0° | 119.7° |
N8 | C17 | C16 | 122.3° | 119.6° |
C17 | N8 | H48 | 105.7° | 120.0° |
C7 | C3 | C2 | 120.2° | 120.3° |
C3 | C7 | H47 | 106.8° | 109.7° |
C3 | C2 | C1 | 120.5° | 119.7° |
C3 | C2 | H44 | 119.8° | 120.2° |
C17 | C18 | C19 | 121.2° | 121.0° |
C18 | C17 | C16 | 119.7° | 120.7° |
C17 | C18 | H52 | 119.4° | 119.5° |
C18 | C19 | C14 | 121.1° | 119.8° |
C19 | C18 | H52 | 119.4° | 119.5° |
C18 | C19 | H53 | 119.4° | 120.1° |
C6 | C1 | C2 | 120.1° | 120.1° |
C6 | C1 | H43 | 120.0° | 119.9° |
C1 | C6 | H46 | 119.6° | 120.1° |
C17 | C16 | C13 | 120.7° | 119.3° |
C17 | C16 | H51 | 119.6° | 120.3° |
C2 | C1 | H43 | 120.0° | 119.9° |
C1 | C2 | H44 | 119.7° | 120.0° |
C19 | C14 | C13 | 118.0° | 119.6° |
C19 | C14 | C15 | 124.8° | 121.9° |
C14 | C19 | H53 | 119.4° | 120.1° |
C16 | C13 | C14 | 119.3° | 119.7° |
C16 | C13 | C12 | 121.9° | 122.1° |
C13 | C16 | H51 | 119.7° | 120.4° |
C13 | C14 | C15 | 117.2° | 118.5° |
C14 | C13 | C12 | 118.9° | 118.3° |
C14 | C15 | N20 | 121.7° | 120.1° |
C14 | C15 | N10 | 121.2° | 119.7° |
C13 | C12 | C11 | 119.7° | 118.9° |
C13 | C12 | H50 | 120.1° | 120.6° |
N20 | C15 | N10 | 117.1° | 120.1° |
C15 | N20 | H54 | 109.5° | 120.0° |
C15 | N20 | H55 | 109.5° | 120.0° |
C15 | N10 | C11 | 118.9° | 122.7° |
C12 | C11 | N10 | 124.0° | 122.0° |
C12 | C11 | H49 | 118.0° | 119.0° |
C11 | C12 | H50 | 120.2° | 120.6° |
N10 | C11 | H49 | 118.0° | 119.0° |
H54 | N20 | H55 | 109.5° | 120.0° |
H60 | C29 | H61 | 109.5° | 109.7° |
H63 | C31 | H64 | 109.4° | 109.5° |
H63 | C31 | H62 | 109.4° | 109.5° |
H64 | C31 | H62 | 109.5° | 109.5° |
H67 | C36 | H66 | 109.5° | 115.5° |
H69 | C37 | H68 | 109.5° | 115.6° |
H70 | C38 | H71 | 109.5° | 109.6° |
H73 | C42 | H72 | 109.5° | 109.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O34 | S32 | C33 | C37 | 78.4° | 0.3° |
O34 | S32 | C33 | C24 | 113.8° | 111.6° |
O34 | S32 | C33 | O35 | 129.2° | 136.7° |
O34 | S32 | C33 | C36 | 149.5° | 68.4° |
O34 | S32 | C24 | C25 | 26.6° | 129.0° |
O34 | S32 | C24 | O35 | 130.6° | 127.9° |
O34 | S32 | C24 | C23 | 156.1° | 51.1° |
O34 | S32 | C33 | H65 | 65.5° | 146.0° |
C33 | C37 | C36 | H69 | 109.5° | 107.5° |
C33 | C37 | C36 | H68 | 109.5° | 107.5° |
C37 | C33 | S32 | C36 | 71.1° | 68.6° |
C37 | C33 | S32 | H65 | 143.9° | 145.7° |
C37 | C33 | C36 | H65 | 107.2° | 107.5° |
C37 | C33 | S32 | C24 | 167.8° | 111.4° |
C37 | C33 | S32 | O35 | 50.9° | 137.0° |
C33 | C37 | C36 | H67 | 109.5° | 107.5° |
C33 | C37 | C36 | H66 | 109.5° | 107.5° |
C33 | C37 | H69 | H68 | 144.7° | 145.7° |
C37 | C36 | H67 | H66 | 144.7° | 145.7° |
C36 | C37 | H69 | H68 | 144.7° | 145.7° |
S32 | C33 | C36 | H65 | 143.4° | 145.0° |
C33 | S32 | C24 | C25 | 87.1° | 115.0° |
C33 | S32 | C24 | O35 | 115.6° | 116.1° |
C33 | S32 | C24 | C23 | 90.1° | 65.0° |
S32 | C33 | C36 | H67 | 141.1° | 0.0° |
S32 | C33 | C36 | H66 | 0.0° | 145.0° |
S32 | C33 | C37 | H69 | 139.8° | 145.0° |
S32 | C33 | C37 | H68 | 1.2° | 0.0° |
C36 | C33 | S32 | C24 | 96.8° | 180.0° |
C36 | C33 | S32 | O35 | 20.2° | 68.4° |
C33 | C36 | H67 | H66 | 144.8° | 145.6° |
C26 | C25 | C24 | H57 | 180.0° | 179.8° |
C26 | C25 | C24 | S32 | 176.8° | 179.7° |
C25 | C26 | C27 | H58 | 180.0° | 179.7° |
C26 | C25 | C24 | C23 | 0.5° | 0.4° |
C25 | C26 | C27 | N28 | 179.5° | 179.7° |
C25 | C26 | C27 | C22 | 0.1° | 0.3° |
C25 | C24 | S32 | C23 | 177.2° | 179.9° |
C25 | C24 | S32 | O35 | 157.3° | 1.1° |
C24 | C25 | C26 | C27 | 0.9° | 0.8° |
C25 | C24 | C23 | C22 | 0.6° | 0.6° |
C25 | C24 | C23 | C29 | 179.1° | 179.1° |
C24 | C25 | C26 | H58 | 179.1° | 179.5° |
S32 | C24 | C23 | C22 | 177.7° | 179.4° |
S32 | C24 | C23 | C29 | 2.1° | 1.0° |
C24 | S32 | C33 | H65 | 48.3° | 34.3° |
S32 | C24 | C25 | H57 | 3.2° | 0.1° |
O35 | S32 | C24 | C23 | 25.5° | 179.0° |
O35 | S32 | C33 | H65 | 165.2° | 77.3° |
C26 | C27 | N28 | C22 | 179.6° | 180.0° |
C26 | C27 | C22 | C23 | 1.1° | 0.7° |
C26 | C27 | N28 | C39 | 172.8° | 173.5° |
C26 | C27 | C22 | H56 | 178.9° | 179.7° |
C27 | C26 | C25 | H57 | 179.1° | 179.4° |
C26 | C27 | N28 | H59 | 7.2° | 6.4° |
C24 | C23 | C22 | C27 | 1.4° | 1.1° |
C24 | C23 | C22 | C29 | 179.7° | 179.6° |
C24 | C23 | C29 | N30 | 161.7° | 128.0° |
C24 | C23 | C22 | H56 | 178.6° | 179.2° |
C23 | C24 | C25 | H57 | 179.5° | 179.9° |
C24 | C23 | C29 | H60 | 41.1° | 8.3° |
C24 | C23 | C29 | H61 | 77.6° | 112.4° |
N28 | C27 | C22 | C23 | 179.4° | 179.3° |
C27 | N28 | C39 | H59 | 180.0° | 180.0° |
C27 | N28 | C39 | O40 | 154.4° | 0.5° |
C27 | N28 | C39 | O41 | 26.0° | 179.6° |
N28 | C27 | C22 | H56 | 0.6° | 0.3° |
N28 | C27 | C26 | H58 | 0.5° | 0.0° |
C27 | C22 | C23 | H56 | 180.0° | 179.7° |
C27 | C22 | C23 | C29 | 178.3° | 178.5° |
C22 | C27 | N28 | C39 | 6.8° | 6.4° |
C22 | C27 | C26 | H58 | 179.9° | 180.0° |
C22 | C27 | N28 | H59 | 173.2° | 173.6° |
C22 | C23 | C29 | N30 | 18.0° | 51.7° |
C22 | C23 | C29 | H60 | 138.6° | 171.4° |
C22 | C23 | C29 | H61 | 102.6° | 68.0° |
C23 | C29 | N30 | H60 | 120.6° | 119.7° |
C23 | C29 | N30 | H61 | 120.6° | 119.7° |
C23 | C29 | N30 | C9 | 78.2° | 140.7° |
C23 | C29 | N30 | C31 | 99.8° | 39.4° |
C29 | C23 | C22 | H56 | 1.7° | 1.1° |
C23 | C29 | H60 | H61 | 118.0° | 120.7° |
N28 | C39 | O40 | O41 | 179.5° | 180.0° |
N28 | C39 | O40 | C42 | 132.2° | 173.6° |
C29 | N30 | C9 | O21 | 3.4° | 0.8° |
C29 | N30 | C9 | C31 | 177.8° | 179.9° |
C29 | N30 | C9 | C7 | 175.7° | 179.2° |
N30 | C29 | H60 | H61 | 118.0° | 120.6° |
C29 | N30 | C31 | H63 | 180.0° | 125.4° |
C29 | N30 | C31 | H64 | 60.0° | 5.4° |
C29 | N30 | C31 | H62 | 60.0° | 114.6° |
C39 | O40 | C42 | C38 | 55.7° | 95.8° |
O40 | C39 | N28 | H59 | 25.6° | 179.5° |
C39 | O40 | C42 | H73 | 64.3° | 24.1° |
C39 | O40 | C42 | H72 | 175.8° | 144.2° |
C42 | O40 | C39 | O41 | 48.2° | 6.4° |
O40 | C42 | C38 | H73 | 120.1° | 119.8° |
O40 | C42 | C38 | H72 | 120.1° | 120.0° |
O40 | C42 | C38 | C5 | 98.0° | 89.3° |
O40 | C42 | C38 | H70 | 141.6° | 30.5° |
O40 | C42 | C38 | H71 | 22.5° | 150.8° |
O40 | C42 | H73 | H72 | 119.7° | 120.1° |
O21 | C9 | N30 | C7 | 179.0° | 180.0° |
O21 | C9 | N30 | C31 | 178.9° | 179.1° |
O21 | C9 | C7 | N8 | 18.7° | 162.4° |
O21 | C9 | C7 | C3 | 107.8° | 78.0° |
O21 | C9 | C7 | H47 | 135.5° | 41.8° |
O41 | C39 | N28 | H59 | 153.9° | 0.4° |
C42 | C38 | C5 | H70 | 120.4° | 119.9° |
C42 | C38 | C5 | H71 | 120.5° | 119.9° |
C42 | C38 | C5 | C4 | 140.1° | 70.4° |
C42 | C38 | C5 | C6 | 37.6° | 109.3° |
C42 | C38 | H70 | H71 | 118.7° | 120.3° |
C38 | C42 | H73 | H72 | 119.8° | 120.2° |
C38 | C5 | C4 | C6 | 177.8° | 179.7° |
C38 | C5 | C4 | C3 | 176.3° | 179.7° |
C38 | C5 | C6 | C1 | 174.9° | 179.3° |
C38 | C5 | C4 | H45 | 3.7° | 0.6° |
C38 | C5 | C6 | H46 | 5.1° | 0.6° |
C5 | C38 | H70 | H71 | 118.6° | 120.2° |
C5 | C38 | C42 | H73 | 22.1° | 150.8° |
C5 | C38 | C42 | H72 | 142.0° | 30.6° |
N30 | C9 | C7 | N8 | 162.2° | 17.6° |
N30 | C9 | C7 | C3 | 71.2° | 102.0° |
N30 | C9 | C7 | H47 | 45.5° | 138.2° |
C9 | N30 | C29 | H60 | 42.4° | 99.5° |
C9 | N30 | C29 | H61 | 161.2° | 21.1° |
C9 | N30 | C31 | H63 | 2.2° | 54.8° |
C9 | N30 | C31 | H64 | 122.2° | 174.7° |
C9 | N30 | C31 | H62 | 117.8° | 65.3° |
C7 | C9 | N30 | C31 | 2.1° | 0.9° |
C9 | C7 | C3 | C4 | 55.0° | 53.1° |
C9 | C7 | N8 | C3 | 126.3° | 118.9° |
C9 | C7 | N8 | H47 | 116.2° | 120.6° |
C9 | C7 | N8 | C17 | 157.5° | 89.4° |
C9 | C7 | C3 | H47 | 116.7° | 119.9° |
C9 | C7 | C3 | C2 | 125.5° | 125.9° |
C9 | C7 | N8 | H48 | 80.5° | 90.6° |
C31 | N30 | C29 | H60 | 139.6° | 80.4° |
C31 | N30 | C29 | H61 | 20.8° | 159.0° |
N30 | C31 | H63 | H64 | 120.0° | 119.9° |
N30 | C31 | H63 | H62 | 120.0° | 120.0° |
N30 | C31 | H64 | H62 | 120.0° | 120.0° |
C5 | C4 | C3 | H45 | 180.0° | 179.6° |
C5 | C4 | C3 | C7 | 178.7° | 179.5° |
C5 | C4 | C3 | C2 | 0.9° | 0.5° |
C4 | C5 | C6 | C1 | 2.9° | 0.4° |
C4 | C5 | C6 | H46 | 177.1° | 179.7° |
C4 | C5 | C38 | H70 | 99.4° | 49.4° |
C4 | C5 | C38 | H71 | 19.7° | 169.7° |
C3 | C4 | C5 | C6 | 1.5° | 0.0° |
C4 | C3 | C7 | N8 | 70.3° | 66.5° |
C4 | C3 | C7 | C2 | 179.5° | 179.0° |
C4 | C3 | C2 | C1 | 1.9° | 0.5° |
C4 | C3 | C2 | H44 | 178.1° | 180.0° |
C4 | C3 | C7 | H47 | 171.7° | 173.0° |
C5 | C6 | C1 | H46 | 180.0° | 179.9° |
C5 | C6 | C1 | C2 | 2.0° | 0.4° |
C5 | C6 | C1 | H43 | 178.0° | 179.6° |
C6 | C5 | C4 | H45 | 178.5° | 179.6° |
C6 | C5 | C38 | H70 | 82.8° | 130.8° |
C6 | C5 | C38 | H71 | 158.1° | 10.6° |
C7 | N8 | C17 | H48 | 122.0° | 180.0° |
N8 | C7 | C3 | H47 | 118.0° | 120.5° |
N8 | C7 | C3 | C2 | 109.3° | 114.5° |
C7 | N8 | C17 | C18 | 170.3° | 0.0° |
C7 | N8 | C17 | C16 | 8.5° | 179.7° |
C17 | N8 | C7 | C3 | 76.2° | 151.7° |
N8 | C17 | C18 | C16 | 178.8° | 179.8° |
N8 | C17 | C18 | C19 | 177.5° | 180.0° |
N8 | C17 | C16 | C13 | 177.9° | 179.7° |
N8 | C17 | C18 | H52 | 2.5° | 0.2° |
N8 | C17 | C16 | H51 | 2.1° | 0.2° |
C17 | N8 | C7 | H47 | 41.3° | 31.3° |
C7 | C3 | C2 | C1 | 177.7° | 179.5° |
C7 | C3 | C2 | H44 | 2.3° | 1.0° |
C7 | C3 | C4 | H45 | 1.4° | 0.9° |
C3 | C7 | N8 | H48 | 45.8° | 28.3° |
C3 | C2 | C1 | C6 | 0.5° | 0.0° |
C3 | C2 | C1 | H44 | 180.0° | 179.5° |
C3 | C2 | C1 | H43 | 179.5° | 179.9° |
C2 | C3 | C4 | H45 | 179.1° | 179.9° |
C2 | C3 | C7 | H47 | 8.7° | 6.0° |
C17 | C18 | C19 | H52 | 180.0° | 179.8° |
C17 | C18 | C19 | C14 | 0.9° | 0.3° |
C18 | C17 | C16 | C13 | 0.9° | 0.1° |
C18 | C17 | C16 | H51 | 179.1° | 180.0° |
C17 | C18 | C19 | H53 | 179.0° | 180.0° |
C18 | C17 | N8 | H48 | 48.3° | 180.0° |
C19 | C18 | C17 | C16 | 1.3° | 0.2° |
C18 | C19 | C14 | H53 | 180.0° | 179.7° |
C18 | C19 | C14 | C13 | 0.2° | 0.0° |
C18 | C19 | C14 | C15 | 177.7° | 180.0° |
C6 | C1 | C2 | H43 | 180.0° | 180.0° |
C6 | C1 | C2 | H44 | 179.5° | 179.6° |
C17 | C16 | C13 | H51 | 180.0° | 179.9° |
C17 | C16 | C13 | C14 | 0.2° | 0.3° |
C17 | C16 | C13 | C12 | 179.8° | 180.0° |
C16 | C17 | C18 | H52 | 178.7° | 180.0° |
C16 | C17 | N8 | H48 | 130.5° | 0.2° |
C2 | C1 | C6 | H46 | 178.0° | 179.7° |
C19 | C14 | C13 | C16 | 0.1° | 0.3° |
C19 | C14 | C13 | C15 | 178.1° | 179.9° |
C19 | C14 | C13 | C12 | 179.4° | 180.0° |
C19 | C14 | C15 | N20 | 3.2° | 0.2° |
C19 | C14 | C15 | N10 | 176.3° | 180.0° |
C14 | C19 | C18 | H52 | 179.1° | 180.0° |
C16 | C13 | C14 | C12 | 179.5° | 179.7° |
C16 | C13 | C14 | C15 | 178.2° | 179.7° |
C16 | C13 | C12 | C11 | 176.0° | 179.9° |
C16 | C13 | C12 | H50 | 4.0° | 0.0° |
C13 | C14 | C15 | N20 | 178.8° | 179.7° |
C13 | C14 | C15 | N10 | 1.6° | 0.0° |
C14 | C13 | C12 | C11 | 3.5° | 0.2° |
C14 | C13 | C16 | H51 | 179.8° | 179.8° |
C13 | C14 | C19 | H53 | 179.7° | 179.8° |
C14 | C13 | C12 | H50 | 176.5° | 179.7° |
C15 | C14 | C13 | C12 | 1.4° | 0.0° |
C14 | C15 | N20 | N10 | 179.5° | 179.7° |
C14 | C15 | N10 | C11 | 2.5° | 0.3° |
C15 | C14 | C19 | H53 | 2.3° | 0.3° |
C14 | C15 | N20 | H54 | 179.6° | 179.7° |
C14 | C15 | N20 | H55 | 60.4° | 0.3° |
C13 | C12 | C11 | H50 | 180.0° | 179.9° |
C13 | C12 | C11 | N10 | 2.8° | 0.5° |
C12 | C13 | C16 | H51 | 0.3° | 0.1° |
C13 | C12 | C11 | H49 | 177.2° | 180.0° |
N20 | C15 | N10 | C11 | 178.0° | 180.0° |
C15 | N20 | H54 | H55 | 120.0° | 180.0° |
C15 | N10 | C11 | C12 | 0.2° | 0.6° |
C15 | N10 | C11 | H49 | 179.8° | 180.0° |
N10 | C15 | N20 | H54 | 0.0° | 0.0° |
N10 | C15 | N20 | H55 | 120.0° | 180.0° |
C12 | C11 | N10 | H49 | 180.0° | 179.4° |
N10 | C11 | C12 | H50 | 177.2° | 179.4° |
H52 | C18 | C19 | H53 | 1.0° | 0.2° |
H49 | C11 | C12 | H50 | 2.8° | 0.0° |
H65 | C33 | C36 | H67 | 2.3° | 145.0° |
H65 | C33 | C36 | H66 | 143.3° | 0.0° |
H65 | C33 | C37 | H69 | 2.3° | 0.0° |
H65 | C33 | C37 | H68 | 143.3° | 145.0° |
H43 | C1 | C2 | H44 | 0.5° | 0.4° |
H43 | C1 | C6 | H46 | 2.0° | 0.3° |
H47 | C7 | N8 | H48 | 163.3° | 148.8° |
H57 | C25 | C26 | H58 | 0.9° | 0.3° |
H63 | C31 | H64 | H62 | 119.9° | 120.0° |
H67 | C36 | C37 | H69 | 0.0° | 145.0° |
H67 | C36 | C37 | H68 | 141.0° | 0.0° |
H66 | C36 | C37 | H69 | 141.0° | 0.1° |
H66 | C36 | C37 | H68 | 0.0° | 145.0° |
H70 | C38 | C42 | H73 | 98.3° | 89.3° |
H70 | C38 | C42 | H72 | 21.5° | 150.5° |
H71 | C38 | C42 | H73 | 142.6° | 31.0° |
H71 | C38 | C42 | H72 | 97.6° | 89.2° |