E1I
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C33 | N32 | sing | 1.47Å | 1.46Å | |
N31 | N32 | sing | 1.40Å | 1.36Å | Aromatic |
N31 | C30 | doub | 1.30Å | 1.33Å | Aromatic |
N32 | C34 | sing | 1.34Å | 1.32Å | Aromatic |
C30 | C29 | sing | 1.41Å | 1.39Å | Aromatic |
C34 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
C29 | C28 | sing | 1.48Å | 1.54Å | |
C28 | N27 | doub | 1.31Å | 1.46Å | |
C28 | N02 | sing | 1.37Å | 1.45Å | |
N27 | C26 | sing | 1.34Å | 1.45Å | |
C21 | C22 | sing | 1.53Å | 1.53Å | |
C21 | N20 | sing | 1.47Å | 1.49Å | |
C09 | C10 | sing | 1.51Å | 1.53Å | |
C09 | N08 | sing | 1.47Å | 1.47Å | |
C01 | N02 | sing | 1.46Å | 1.46Å | |
N02 | C03 | sing | 1.35Å | 1.44Å | |
C22 | O23 | sing | 1.43Å | 1.46Å | |
C24 | O23 | sing | 1.43Å | 1.46Å | |
C24 | C25 | sing | 1.53Å | 1.55Å | |
N12 | C10 | sing | 1.35Å | 1.48Å | |
N12 | C13 | sing | 1.40Å | 1.47Å | |
C26 | N08 | sing | 1.37Å | 1.34Å | Aromatic |
C26 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
C10 | O11 | doub | 1.21Å | 1.19Å | |
C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
N08 | C07 | sing | 1.37Å | 1.33Å | Aromatic |
C13 | C18 | sing | 1.40Å | 1.38Å | Aromatic |
C25 | N20 | sing | 1.47Å | 1.57Å | |
N20 | C15 | sing | 1.39Å | 1.46Å | |
C15 | N16 | doub | 1.33Å | 1.33Å | Aromatic |
CL19 | C18 | sing | 1.74Å | 1.76Å | |
C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
C03 | C05 | sing | 1.41Å | 1.53Å | |
C03 | O04 | doub | 1.22Å | 1.20Å | |
C05 | C06 | sing | 1.47Å | 1.42Å | Aromatic |
N16 | C17 | sing | 1.32Å | 1.32Å | Aromatic |
C07 | C06 | doub | 1.36Å | 1.41Å | Aromatic |
C06 | C35 | sing | 1.48Å | 1.41Å | |
C42 | C35 | doub | 1.39Å | 1.37Å | Aromatic |
C42 | C41 | sing | 1.39Å | 1.40Å | Aromatic |
C35 | C36 | sing | 1.40Å | 1.40Å | Aromatic |
N44 | C43 | trip | 1.14Å | 1.13Å | |
C43 | C41 | sing | 1.43Å | 1.51Å | |
C41 | C39 | doub | 1.40Å | 1.40Å | Aromatic |
C36 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
C39 | C37 | sing | 1.39Å | 1.38Å | Aromatic |
C39 | O40 | sing | 1.36Å | 1.41Å | |
C37 | C38 | sing | 1.51Å | 1.54Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C07 | H4 | sing | 1.08Å | 1.08Å | |
C09 | H5 | sing | 1.09Å | 1.10Å | |
C09 | H6 | sing | 1.09Å | 1.10Å | |
C14 | H7 | sing | 1.08Å | 1.08Å | |
C17 | H8 | sing | 1.08Å | 1.08Å | |
C21 | H9 | sing | 1.09Å | 1.10Å | |
C21 | H10 | sing | 1.09Å | 1.10Å | |
C22 | H11 | sing | 1.09Å | 1.10Å | |
C22 | H12 | sing | 1.09Å | 1.10Å | |
C24 | H13 | sing | 1.09Å | 1.10Å | |
C24 | H14 | sing | 1.09Å | 1.10Å | |
C25 | H15 | sing | 1.09Å | 1.10Å | |
C25 | H16 | sing | 1.09Å | 1.10Å | |
C30 | H17 | sing | 1.08Å | 1.08Å | |
C33 | H18 | sing | 1.09Å | 1.10Å | |
C33 | H19 | sing | 1.09Å | 1.10Å | |
C33 | H20 | sing | 1.09Å | 1.10Å | |
C34 | H21 | sing | 1.08Å | 1.08Å | |
C36 | H22 | sing | 1.08Å | 1.08Å | |
C38 | H23 | sing | 1.09Å | 1.10Å | |
C38 | H24 | sing | 1.09Å | 1.10Å | |
C38 | H25 | sing | 1.09Å | 1.10Å | |
C42 | H26 | sing | 1.08Å | 1.08Å | |
N12 | H27 | sing | 0.97Å | 1.00Å | |
O40 | H28 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C33 | N32 | N31 | 125.8° | 125.8° |
C33 | N32 | C34 | 125.1° | 125.8° |
N32 | C33 | H18 | 109.5° | 109.4° |
N32 | C33 | H19 | 109.5° | 109.5° |
N32 | C33 | H20 | 109.5° | 109.5° |
N32 | N31 | C30 | 108.3° | 108.9° |
N31 | N32 | C34 | 109.2° | 108.4° |
N31 | C30 | C29 | 107.8° | 108.1° |
N31 | C30 | H17 | 126.1° | 126.0° |
N32 | C34 | C29 | 108.2° | 107.4° |
N32 | C34 | H21 | 125.9° | 126.3° |
C30 | C29 | C34 | 106.4° | 107.2° |
C30 | C29 | C28 | 128.6° | 126.4° |
C29 | C30 | H17 | 126.1° | 125.9° |
C34 | C29 | C28 | 125.0° | 126.4° |
C29 | C34 | H21 | 125.9° | 126.3° |
C29 | C28 | N27 | 117.3° | 118.9° |
C29 | C28 | N02 | 123.3° | 118.9° |
N27 | C28 | N02 | 119.4° | 122.1° |
C28 | N27 | C26 | 121.0° | 121.2° |
C28 | N02 | C01 | 121.1° | 120.0° |
C28 | N02 | C03 | 119.9° | 120.1° |
N27 | C26 | N08 | 129.3° | 133.4° |
N27 | C26 | C05 | 120.8° | 119.2° |
C22 | C21 | N20 | 112.3° | 109.3° |
C21 | C22 | O23 | 110.4° | 109.3° |
C22 | C21 | H9 | 108.8° | 109.5° |
C22 | C21 | H10 | 108.8° | 109.5° |
C21 | C22 | H11 | 109.2° | 109.5° |
C21 | C22 | H12 | 109.2° | 109.5° |
C21 | N20 | C25 | 104.0° | 110.7° |
C21 | N20 | C15 | 115.1° | 111.0° |
N20 | C21 | H9 | 108.8° | 109.5° |
N20 | C21 | H10 | 108.8° | 109.5° |
C10 | C09 | N08 | 113.3° | 109.5° |
C09 | C10 | N12 | 114.3° | 120.0° |
C09 | C10 | O11 | 120.6° | 120.0° |
C10 | C09 | H5 | 108.5° | 109.5° |
C10 | C09 | H6 | 108.5° | 109.5° |
C09 | N08 | C26 | 124.1° | 124.8° |
C09 | N08 | C07 | 125.8° | 124.8° |
N08 | C09 | H5 | 108.5° | 109.5° |
N08 | C09 | H6 | 108.5° | 109.5° |
C01 | N02 | C03 | 119.0° | 119.9° |
N02 | C01 | H1 | 109.5° | 109.5° |
N02 | C01 | H2 | 109.4° | 109.4° |
N02 | C01 | H3 | 109.4° | 109.5° |
N02 | C03 | C05 | 119.7° | 118.2° |
N02 | C03 | O04 | 119.0° | 120.9° |
C22 | O23 | C24 | 112.0° | 113.8° |
O23 | C22 | H11 | 109.2° | 109.5° |
O23 | C22 | H12 | 109.2° | 109.5° |
O23 | C24 | C25 | 111.6° | 109.3° |
O23 | C24 | H13 | 108.9° | 109.6° |
O23 | C24 | H14 | 108.9° | 109.5° |
C24 | C25 | N20 | 112.1° | 109.3° |
C25 | C24 | H13 | 108.9° | 109.5° |
C25 | C24 | H14 | 108.9° | 109.5° |
C24 | C25 | H15 | 108.8° | 109.5° |
C24 | C25 | H16 | 108.8° | 109.5° |
C10 | N12 | C13 | 123.5° | 120.0° |
N12 | C10 | O11 | 125.2° | 120.0° |
C10 | N12 | H27 | 118.3° | 120.0° |
N12 | C13 | C14 | 120.1° | 120.8° |
N12 | C13 | C18 | 120.9° | 120.8° |
C13 | N12 | H27 | 118.2° | 120.0° |
N08 | C26 | C05 | 109.9° | 107.5° |
C26 | N08 | C07 | 109.9° | 110.4° |
C26 | C05 | C03 | 119.1° | 119.2° |
C26 | C05 | C06 | 105.2° | 106.3° |
C13 | C14 | C15 | 117.3° | 119.0° |
C14 | C13 | C18 | 118.9° | 118.3° |
C13 | C14 | H7 | 121.4° | 120.5° |
C14 | C15 | N20 | 117.2° | 119.7° |
C14 | C15 | N16 | 121.8° | 120.7° |
C15 | C14 | H7 | 121.3° | 120.5° |
N08 | C07 | C06 | 108.5° | 109.5° |
N08 | C07 | H4 | 125.8° | 125.3° |
C13 | C18 | CL19 | 117.4° | 120.4° |
C13 | C18 | C17 | 121.4° | 119.2° |
C25 | N20 | C15 | 119.1° | 111.0° |
N20 | C25 | H15 | 108.8° | 109.5° |
N20 | C25 | H16 | 108.8° | 109.5° |
N20 | C15 | N16 | 121.1° | 119.6° |
C15 | N16 | C17 | 122.5° | 121.8° |
CL19 | C18 | C17 | 121.2° | 120.4° |
C18 | C17 | N16 | 118.1° | 120.9° |
C18 | C17 | H8 | 120.9° | 119.5° |
C05 | C03 | O04 | 121.2° | 120.9° |
C03 | C05 | C06 | 135.7° | 134.6° |
C05 | C06 | C07 | 106.5° | 106.4° |
C05 | C06 | C35 | 131.1° | 126.7° |
N16 | C17 | H8 | 120.9° | 119.6° |
C07 | C06 | C35 | 122.4° | 126.9° |
C06 | C07 | H4 | 125.8° | 125.2° |
C06 | C35 | C42 | 121.0° | 120.0° |
C06 | C35 | C36 | 118.6° | 120.0° |
C35 | C42 | C41 | 119.3° | 119.8° |
C42 | C35 | C36 | 120.3° | 120.0° |
C35 | C42 | H26 | 120.4° | 120.1° |
C42 | C41 | C43 | 118.4° | 120.1° |
C42 | C41 | C39 | 121.0° | 119.8° |
C41 | C42 | H26 | 120.4° | 120.1° |
C35 | C36 | C37 | 120.2° | 120.3° |
C35 | C36 | H22 | 119.9° | 119.8° |
N44 | C43 | C41 | 178.6° | 180.0° |
C43 | C41 | C39 | 120.6° | 120.1° |
C41 | C39 | C37 | 119.6° | 119.9° |
C41 | C39 | O40 | 121.0° | 120.0° |
C36 | C37 | C39 | 119.6° | 120.3° |
C36 | C37 | C38 | 120.7° | 119.9° |
C37 | C36 | H22 | 119.9° | 119.9° |
C37 | C39 | O40 | 119.4° | 120.1° |
C39 | C37 | C38 | 119.6° | 119.9° |
C39 | O40 | H28 | 109.5° | 114.0° |
C37 | C38 | H23 | 109.5° | 109.5° |
C37 | C38 | H24 | 109.5° | 109.4° |
C37 | C38 | H25 | 109.4° | 109.5° |
H1 | C01 | H2 | 109.5° | 109.5° |
H1 | C01 | H3 | 109.5° | 109.5° |
H2 | C01 | H3 | 109.5° | 109.4° |
H5 | C09 | H6 | 109.5° | 109.5° |
H9 | C21 | H10 | 109.4° | 109.6° |
H11 | C22 | H12 | 109.5° | 109.5° |
H13 | C24 | H14 | 109.5° | 109.5° |
H15 | C25 | H16 | 109.5° | 109.5° |
H18 | C33 | H19 | 109.5° | 109.5° |
H18 | C33 | H20 | 109.5° | 109.5° |
H19 | C33 | H20 | 109.4° | 109.5° |
H23 | C38 | H24 | 109.5° | 109.5° |
H23 | C38 | H25 | 109.5° | 109.5° |
H24 | C38 | H25 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C33 | N32 | N31 | C34 | 179.8° | 180.0° |
C33 | N32 | N31 | C30 | 179.4° | 180.0° |
C33 | N32 | C34 | C29 | 179.2° | 179.8° |
N32 | C33 | H18 | H19 | 120.0° | 119.9° |
N32 | C33 | H18 | H20 | 120.0° | 120.0° |
N32 | C33 | H19 | H20 | 120.0° | 120.0° |
C33 | N32 | C34 | H21 | 0.8° | 0.2° |
N32 | N31 | C30 | C29 | 0.1° | 0.2° |
N31 | N32 | C34 | C29 | 0.6° | 0.2° |
N32 | N31 | C30 | H17 | 179.9° | 179.8° |
N31 | N32 | C33 | H18 | 0.0° | 90.0° |
N31 | N32 | C33 | H19 | 120.0° | 150.0° |
N31 | N32 | C33 | H20 | 120.0° | 30.0° |
N31 | N32 | C34 | H21 | 179.4° | 179.9° |
C30 | N31 | N32 | C34 | 0.4° | 0.0° |
N31 | C30 | C29 | H17 | 180.0° | 180.0° |
N31 | C30 | C29 | C34 | 0.3° | 0.3° |
N31 | C30 | C29 | C28 | 179.2° | 180.0° |
N32 | C34 | C29 | C30 | 0.5° | 0.3° |
N32 | C34 | C29 | H21 | 180.0° | 180.0° |
N32 | C34 | C29 | C28 | 179.5° | 180.0° |
C34 | N32 | C33 | H18 | 179.8° | 90.0° |
C34 | N32 | C33 | H19 | 60.2° | 29.9° |
C34 | N32 | C33 | H20 | 59.7° | 150.0° |
C30 | C29 | C34 | C28 | 179.0° | 179.8° |
C30 | C29 | C28 | N27 | 137.6° | 6.1° |
C30 | C29 | C28 | N02 | 41.5° | 173.8° |
C30 | C29 | C34 | H21 | 179.5° | 179.8° |
C34 | C29 | C28 | N27 | 41.1° | 173.6° |
C34 | C29 | C28 | N02 | 139.8° | 6.4° |
C34 | C29 | C30 | H17 | 179.7° | 179.7° |
C29 | C28 | N27 | N02 | 179.1° | 180.0° |
C29 | C28 | N27 | C26 | 180.0° | 180.0° |
C29 | C28 | N02 | C01 | 0.7° | 0.0° |
C29 | C28 | N02 | C03 | 179.0° | 179.9° |
C28 | C29 | C30 | H17 | 0.8° | 0.0° |
C28 | C29 | C34 | H21 | 0.4° | 0.0° |
N27 | C28 | N02 | C01 | 179.7° | 179.9° |
N27 | C28 | N02 | C03 | 0.1° | 0.1° |
C28 | N27 | C26 | N08 | 178.3° | 180.0° |
C28 | N27 | C26 | C05 | 1.0° | 0.1° |
N02 | C28 | N27 | C26 | 0.9° | 0.1° |
C28 | N02 | C01 | C03 | 179.6° | 179.9° |
C28 | N02 | C03 | C05 | 1.0° | 0.2° |
C28 | N02 | C03 | O04 | 178.7° | 179.9° |
C28 | N02 | C01 | H1 | 180.0° | 174.6° |
C28 | N02 | C01 | H2 | 60.0° | 54.7° |
C28 | N02 | C01 | H3 | 60.0° | 65.3° |
N27 | C26 | N08 | C09 | 4.3° | 0.4° |
N27 | C26 | N08 | C05 | 179.4° | 179.9° |
N27 | C26 | N08 | C07 | 179.2° | 179.9° |
N27 | C26 | C05 | C03 | 0.1° | 0.0° |
N27 | C26 | C05 | C06 | 179.8° | 179.7° |
C22 | C21 | N20 | H9 | 120.4° | 119.9° |
C22 | C21 | N20 | H10 | 120.4° | 120.0° |
C21 | C22 | O23 | H11 | 120.2° | 120.0° |
C21 | C22 | O23 | H12 | 120.1° | 119.9° |
C21 | C22 | O23 | C24 | 18.7° | 58.7° |
C22 | C21 | N20 | C25 | 68.5° | 58.6° |
C22 | C21 | N20 | C15 | 159.4° | 177.6° |
C22 | C21 | H9 | H10 | 118.7° | 120.2° |
C21 | C22 | H11 | H12 | 119.6° | 120.1° |
N20 | C21 | C22 | O23 | 48.7° | 56.8° |
C21 | N20 | C25 | C24 | 23.1° | 58.6° |
C21 | N20 | C15 | C14 | 37.5° | 180.0° |
C21 | N20 | C25 | C15 | 129.8° | 123.8° |
C21 | N20 | C15 | N16 | 142.3° | 0.0° |
N20 | C21 | H9 | H10 | 118.7° | 120.0° |
N20 | C21 | C22 | H11 | 71.4° | 63.1° |
N20 | C21 | C22 | H12 | 168.8° | 176.8° |
C21 | N20 | C25 | H15 | 143.4° | 178.5° |
C21 | N20 | C25 | H16 | 97.3° | 61.3° |
C10 | C09 | N08 | H5 | 120.6° | 120.0° |
C10 | C09 | N08 | H6 | 120.5° | 120.0° |
C09 | C10 | N12 | O11 | 179.2° | 180.0° |
C09 | C10 | N12 | C13 | 176.8° | 173.9° |
C10 | C09 | N08 | C26 | 99.1° | 85.3° |
C10 | C09 | N08 | C07 | 86.8° | 95.0° |
C10 | C09 | H5 | H6 | 118.3° | 120.0° |
C09 | C10 | N12 | H27 | 3.3° | 6.1° |
N08 | C09 | C10 | N12 | 147.9° | 180.0° |
C09 | N08 | C26 | C07 | 174.9° | 179.7° |
C09 | N08 | C26 | C05 | 176.3° | 179.7° |
N08 | C09 | C10 | O11 | 32.9° | 0.0° |
C09 | N08 | C07 | C06 | 176.7° | 180.0° |
C09 | N08 | C07 | H4 | 3.3° | 0.0° |
N08 | C09 | H5 | H6 | 118.3° | 120.0° |
C01 | N02 | C03 | C05 | 179.4° | 180.0° |
C01 | N02 | C03 | O04 | 0.9° | 0.0° |
N02 | C01 | H1 | H2 | 120.0° | 120.0° |
N02 | C01 | H1 | H3 | 120.0° | 120.0° |
N02 | C01 | H2 | H3 | 120.0° | 119.9° |
N02 | C03 | C05 | C26 | 0.9° | 0.2° |
N02 | C03 | C05 | O04 | 179.7° | 180.0° |
N02 | C03 | C05 | C06 | 178.6° | 179.7° |
C03 | N02 | C01 | H1 | 0.4° | 5.2° |
C03 | N02 | C01 | H2 | 119.6° | 125.2° |
C03 | N02 | C01 | H3 | 120.4° | 114.8° |
C22 | O23 | C24 | C25 | 62.3° | 58.6° |
O23 | C22 | C21 | H9 | 71.7° | 63.1° |
O23 | C22 | C21 | H10 | 169.2° | 176.8° |
O23 | C22 | H11 | H12 | 119.5° | 120.1° |
C22 | O23 | C24 | H13 | 177.4° | 178.6° |
C22 | O23 | C24 | H14 | 58.0° | 61.3° |
O23 | C24 | C25 | H13 | 120.3° | 120.0° |
O23 | C24 | C25 | H14 | 120.3° | 119.9° |
O23 | C24 | C25 | N20 | 38.6° | 56.8° |
C24 | O23 | C22 | H11 | 138.8° | 61.3° |
C24 | O23 | C22 | H12 | 101.5° | 178.6° |
O23 | C24 | H13 | H14 | 119.0° | 120.2° |
O23 | C24 | C25 | H15 | 81.8° | 176.7° |
O23 | C24 | C25 | H16 | 159.0° | 63.1° |
C24 | C25 | N20 | H15 | 120.4° | 120.0° |
C24 | C25 | N20 | H16 | 120.4° | 119.9° |
C24 | C25 | N20 | C15 | 152.8° | 177.6° |
C25 | C24 | H13 | H14 | 119.0° | 120.0° |
C24 | C25 | H15 | H16 | 118.8° | 120.1° |
C10 | N12 | C13 | H27 | 180.0° | 180.0° |
C10 | N12 | C13 | C14 | 36.2° | 23.4° |
C10 | N12 | C13 | C18 | 148.4° | 156.3° |
N12 | C10 | C09 | H5 | 27.3° | 60.0° |
N12 | C10 | C09 | H6 | 91.6° | 60.0° |
C13 | N12 | C10 | O11 | 2.5° | 6.1° |
N12 | C13 | C14 | C18 | 175.5° | 179.7° |
N12 | C13 | C14 | C15 | 177.5° | 179.7° |
N12 | C13 | C18 | CL19 | 1.7° | 0.2° |
N12 | C13 | C18 | C17 | 177.9° | 179.7° |
N12 | C13 | C14 | H7 | 2.5° | 0.3° |
N08 | C26 | C05 | C03 | 179.3° | 179.9° |
N08 | C26 | C05 | C06 | 0.3° | 0.2° |
C26 | N08 | C07 | C06 | 1.9° | 0.3° |
C26 | N08 | C07 | H4 | 178.1° | 179.7° |
C26 | N08 | C09 | H5 | 140.3° | 154.7° |
C26 | N08 | C09 | H6 | 21.4° | 34.7° |
C05 | C26 | N08 | C07 | 1.4° | 0.0° |
C26 | C05 | C03 | C06 | 179.5° | 179.5° |
C26 | C05 | C03 | O04 | 178.8° | 179.9° |
C26 | C05 | C06 | C07 | 0.8° | 0.4° |
C26 | C05 | C06 | C35 | 178.8° | 179.6° |
O11 | C10 | C09 | H5 | 153.4° | 120.0° |
O11 | C10 | C09 | H6 | 87.7° | 120.0° |
O11 | C10 | N12 | H27 | 177.5° | 173.9° |
C13 | C14 | C15 | H7 | 180.0° | 180.0° |
C13 | C14 | C15 | N20 | 178.9° | 180.0° |
C13 | C14 | C15 | N16 | 1.3° | 0.0° |
C14 | C13 | C18 | CL19 | 177.2° | 180.0° |
C14 | C13 | C18 | C17 | 2.4° | 0.0° |
C14 | C13 | N12 | H27 | 143.8° | 156.6° |
C15 | C14 | C13 | C18 | 2.1° | 0.0° |
C14 | C15 | N20 | C25 | 162.0° | 56.4° |
C14 | C15 | N20 | N16 | 179.8° | 179.9° |
C14 | C15 | N16 | C17 | 0.8° | 0.1° |
N08 | C07 | C06 | C05 | 1.7° | 0.4° |
N08 | C07 | C06 | H4 | 180.0° | 180.0° |
N08 | C07 | C06 | C35 | 179.9° | 179.6° |
C07 | N08 | C09 | H5 | 33.8° | 25.0° |
C07 | N08 | C09 | H6 | 152.7° | 145.0° |
C13 | C18 | CL19 | C17 | 179.6° | 180.0° |
C13 | C18 | C17 | N16 | 1.9° | 0.1° |
C18 | C13 | C14 | H7 | 177.9° | 180.0° |
C13 | C18 | C17 | H8 | 178.1° | 180.0° |
C18 | C13 | N12 | H27 | 31.6° | 23.7° |
C25 | N20 | C15 | N16 | 17.8° | 123.6° |
C25 | N20 | C21 | H9 | 52.0° | 61.3° |
C25 | N20 | C21 | H10 | 171.1° | 178.6° |
N20 | C25 | C24 | H13 | 158.9° | 176.8° |
N20 | C25 | C24 | H14 | 81.7° | 63.1° |
N20 | C25 | H15 | H16 | 118.8° | 120.1° |
N20 | C15 | N16 | C17 | 179.4° | 180.0° |
N20 | C15 | C14 | H7 | 1.1° | 0.0° |
C15 | N20 | C21 | H9 | 80.1° | 62.5° |
C15 | N20 | C21 | H10 | 39.0° | 57.6° |
C15 | N20 | C25 | H15 | 86.8° | 57.7° |
C15 | N20 | C25 | H16 | 32.4° | 62.5° |
C15 | N16 | C17 | C18 | 1.1° | 0.1° |
N16 | C15 | C14 | H7 | 178.7° | 179.9° |
C15 | N16 | C17 | H8 | 178.9° | 180.0° |
CL19 | C18 | C17 | N16 | 177.7° | 180.0° |
CL19 | C18 | C17 | H8 | 2.3° | 0.0° |
C18 | C17 | N16 | H8 | 180.0° | 179.9° |
C03 | C05 | C06 | C07 | 179.7° | 180.0° |
C03 | C05 | C06 | C35 | 1.6° | 0.0° |
O04 | C03 | C05 | C06 | 1.7° | 0.4° |
C05 | C06 | C07 | C35 | 178.2° | 180.0° |
C05 | C06 | C35 | C42 | 35.9° | 50.3° |
C05 | C06 | C35 | C36 | 148.0° | 130.0° |
C05 | C06 | C07 | H4 | 178.3° | 179.6° |
C07 | C06 | C35 | C42 | 141.9° | 129.7° |
C07 | C06 | C35 | C36 | 34.2° | 50.0° |
C06 | C35 | C42 | C36 | 176.0° | 179.7° |
C06 | C35 | C42 | C41 | 177.1° | 179.7° |
C06 | C35 | C36 | C37 | 177.8° | 180.0° |
C35 | C06 | C07 | H4 | 0.1° | 0.4° |
C06 | C35 | C36 | H22 | 2.2° | 0.0° |
C06 | C35 | C42 | H26 | 2.9° | 0.0° |
C35 | C42 | C41 | H26 | 180.0° | 179.7° |
C35 | C42 | C41 | C43 | 178.7° | 179.7° |
C35 | C42 | C41 | C39 | 0.1° | 0.6° |
C42 | C35 | C36 | C37 | 1.7° | 0.3° |
C42 | C35 | C36 | H22 | 178.3° | 179.7° |
C41 | C42 | C35 | C36 | 1.1° | 0.5° |
C42 | C41 | C43 | N44 | 6.9° | 63.1° |
C42 | C41 | C43 | C39 | 178.6° | 179.7° |
C42 | C41 | C39 | C37 | 0.8° | 0.3° |
C42 | C41 | C39 | O40 | 179.5° | 179.8° |
C35 | C36 | C37 | H22 | 180.0° | 179.9° |
C35 | C36 | C37 | C39 | 1.0° | 0.0° |
C35 | C36 | C37 | C38 | 178.9° | 180.0° |
C36 | C35 | C42 | H26 | 178.9° | 179.7° |
N44 | C43 | C41 | C39 | 171.7° | 117.2° |
C43 | C41 | C39 | C37 | 179.3° | 180.0° |
C43 | C41 | C39 | O40 | 1.0° | 0.1° |
C43 | C41 | C42 | H26 | 1.3° | 0.0° |
C41 | C39 | C37 | C36 | 0.2° | 0.0° |
C41 | C39 | C37 | O40 | 179.7° | 179.9° |
C41 | C39 | C37 | C38 | 179.9° | 180.0° |
C39 | C41 | C42 | H26 | 179.9° | 179.7° |
C41 | C39 | O40 | H28 | 180.0° | 90.1° |
C36 | C37 | C39 | C38 | 179.9° | 180.0° |
C36 | C37 | C39 | O40 | 179.9° | 179.9° |
C36 | C37 | C38 | H23 | 90.0° | 90.0° |
C36 | C37 | C38 | H24 | 149.9° | 150.0° |
C36 | C37 | C38 | H25 | 30.0° | 30.0° |
C39 | C37 | C36 | H22 | 179.0° | 179.9° |
C39 | C37 | C38 | H23 | 90.1° | 89.9° |
C39 | C37 | C38 | H24 | 29.9° | 30.1° |
C39 | C37 | C38 | H25 | 149.9° | 150.0° |
C37 | C39 | O40 | H28 | 0.3° | 90.0° |
O40 | C39 | C37 | C38 | 0.2° | 0.1° |
C38 | C37 | C36 | H22 | 1.1° | 0.0° |
C37 | C38 | H23 | H24 | 120.0° | 120.0° |
C37 | C38 | H23 | H25 | 120.0° | 120.0° |
C37 | C38 | H24 | H25 | 120.0° | 120.0° |
H1 | C01 | H2 | H3 | 120.0° | 120.1° |
H9 | C21 | C22 | H11 | 168.1° | 177.0° |
H9 | C21 | C22 | H12 | 48.4° | 56.9° |
H10 | C21 | C22 | H11 | 49.0° | 56.8° |
H10 | C21 | C22 | H12 | 70.7° | 63.3° |
H13 | C24 | C25 | H15 | 38.5° | 63.2° |
H13 | C24 | C25 | H16 | 80.7° | 56.9° |
H14 | C24 | C25 | H15 | 157.9° | 56.8° |
H14 | C24 | C25 | H16 | 38.7° | 176.9° |
H18 | C33 | H19 | H20 | 120.0° | 120.0° |
H23 | C38 | H24 | H25 | 120.0° | 120.0° |