IGV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C27 | C25 | sing | 1.55Å | 1.63Å | |
C27 | C28 | sing | 1.55Å | 1.51Å | |
C25 | C26 | sing | 1.54Å | 1.42Å | |
C25 | O24 | sing | 1.43Å | 1.39Å | |
N22 | N21 | sing | 1.40Å | 1.34Å | Aromatic |
N22 | C23 | doub | 1.31Å | 1.33Å | Aromatic |
C26 | N29 | sing | 1.47Å | 1.50Å | |
C28 | N29 | sing | 1.47Å | 1.40Å | |
N21 | C20 | sing | 1.37Å | 1.35Å | Aromatic |
N29 | C30 | sing | 1.35Å | 1.45Å | |
C23 | O24 | sing | 1.36Å | 1.40Å | |
C23 | C17 | sing | 1.46Å | 1.43Å | Aromatic |
C30 | O39 | doub | 1.21Å | 1.19Å | |
C30 | C31 | sing | 1.51Å | 1.52Å | |
C31 | C32 | sing | 1.53Å | 1.52Å | |
C20 | C17 | doub | 1.41Å | 1.38Å | Aromatic |
C20 | N19 | sing | 1.33Å | 1.36Å | Aromatic |
C17 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
N19 | C18 | doub | 1.31Å | 1.33Å | Aromatic |
C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
C18 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
C15 | C14 | sing | 1.48Å | 1.51Å | |
C14 | N12 | sing | 1.34Å | 1.32Å | Aromatic |
C14 | C13 | doub | 1.36Å | 1.42Å | Aromatic |
N12 | N11 | doub | 1.29Å | 1.33Å | Aromatic |
C13 | N10 | sing | 1.36Å | 1.32Å | Aromatic |
N11 | N10 | sing | 1.40Å | 1.33Å | Aromatic |
N10 | C09 | sing | 1.40Å | 1.44Å | |
F41 | C40 | sing | 1.35Å | 1.36Å | |
C09 | C40 | doub | 1.39Å | 1.36Å | Aromatic |
C09 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
F08 | C07 | sing | 1.35Å | 1.37Å | |
C40 | C04 | sing | 1.39Å | 1.36Å | Aromatic |
C07 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
C04 | N03 | sing | 1.40Å | 1.44Å | |
C04 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
N03 | S02 | sing | 1.66Å | 1.68Å | |
C06 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
C43 | C44 | doub | 1.38Å | 1.39Å | Aromatic |
C43 | C42 | sing | 1.38Å | 1.38Å | Aromatic |
S02 | O54 | doub | 1.42Å | 1.47Å | |
S02 | C42 | sing | 1.76Å | 1.80Å | |
S02 | O01 | doub | 1.42Å | 1.47Å | |
C44 | C45 | sing | 1.38Å | 1.39Å | Aromatic |
C42 | C53 | doub | 1.38Å | 1.38Å | Aromatic |
C45 | C46 | doub | 1.39Å | 1.38Å | Aromatic |
C53 | C46 | sing | 1.39Å | 1.37Å | Aromatic |
C46 | C47 | sing | 1.48Å | 1.51Å | |
C47 | C52 | doub | 1.39Å | 1.38Å | Aromatic |
C47 | C48 | sing | 1.39Å | 1.38Å | Aromatic |
C52 | C51 | sing | 1.38Å | 1.38Å | Aromatic |
C48 | C49 | doub | 1.38Å | 1.38Å | Aromatic |
C51 | C50 | doub | 1.38Å | 1.38Å | Aromatic |
C49 | C50 | sing | 1.38Å | 1.39Å | Aromatic |
C13 | H1 | sing | 1.08Å | 1.08Å | |
C16 | H2 | sing | 1.08Å | 1.08Å | |
C27 | H3 | sing | 1.09Å | 1.10Å | |
C27 | H4 | sing | 1.09Å | 1.10Å | |
C31 | H5 | sing | 1.09Å | 1.10Å | |
C31 | H6 | sing | 1.09Å | 1.10Å | |
C32 | H7 | sing | 1.09Å | 1.10Å | |
C32 | H8 | sing | 1.09Å | 1.10Å | |
C32 | H9 | sing | 1.09Å | 1.10Å | |
C26 | H10 | sing | 1.09Å | 1.10Å | |
C26 | H11 | sing | 1.09Å | 1.10Å | |
C28 | H12 | sing | 1.09Å | 1.10Å | |
C28 | H13 | sing | 1.09Å | 1.10Å | |
C05 | H14 | sing | 1.08Å | 1.08Å | |
C06 | H15 | sing | 1.08Å | 1.08Å | |
C18 | H16 | sing | 1.08Å | 1.08Å | |
C25 | H17 | sing | 1.09Å | 1.10Å | |
C43 | H18 | sing | 1.08Å | 1.08Å | |
C44 | H19 | sing | 1.08Å | 1.08Å | |
C45 | H20 | sing | 1.08Å | 1.08Å | |
C48 | H21 | sing | 1.08Å | 1.08Å | |
C49 | H22 | sing | 1.08Å | 1.08Å | |
C50 | H23 | sing | 1.08Å | 1.08Å | |
C51 | H24 | sing | 1.08Å | 1.08Å | |
C52 | H25 | sing | 1.08Å | 1.08Å | |
C53 | H26 | sing | 1.08Å | 1.08Å | |
N03 | H27 | sing | 0.97Å | 1.00Å | |
N21 | H28 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C25 | C27 | C28 | 99.3° | 101.6° |
C27 | C25 | C26 | 102.1° | 102.9° |
C27 | C25 | O24 | 104.7° | 110.8° |
C25 | C27 | H3 | 111.9° | 111.0° |
C25 | C27 | H4 | 111.9° | 111.0° |
C27 | C25 | H17 | 111.6° | 110.7° |
C27 | C28 | N29 | 101.4° | 104.8° |
C28 | C27 | H3 | 111.9° | 111.1° |
C28 | C27 | H4 | 112.0° | 111.0° |
C27 | C28 | H12 | 111.5° | 110.4° |
C27 | C28 | H13 | 111.5° | 110.3° |
C26 | C25 | O24 | 106.7° | 110.7° |
C25 | C26 | N29 | 101.9° | 107.3° |
C25 | C26 | H10 | 111.4° | 109.9° |
C25 | C26 | H11 | 111.3° | 110.0° |
C26 | C25 | H17 | 114.9° | 110.7° |
C25 | O24 | C23 | 113.0° | 117.0° |
O24 | C25 | H17 | 115.5° | 110.8° |
N21 | N22 | C23 | 108.5° | 110.0° |
N22 | N21 | C20 | 111.0° | 109.3° |
N22 | N21 | H28 | 124.5° | 125.3° |
N22 | C23 | O24 | 129.2° | 126.2° |
N22 | C23 | C17 | 107.6° | 107.6° |
C26 | N29 | C28 | 114.5° | 108.7° |
C26 | N29 | C30 | 124.5° | 125.7° |
N29 | C26 | H10 | 111.4° | 109.9° |
N29 | C26 | H11 | 111.3° | 109.9° |
C28 | N29 | C30 | 121.0° | 125.7° |
N29 | C28 | H12 | 111.4° | 110.4° |
N29 | C28 | H13 | 111.5° | 110.4° |
N21 | C20 | C17 | 106.8° | 106.6° |
N21 | C20 | N19 | 131.7° | 133.2° |
C20 | N21 | H28 | 124.5° | 125.4° |
N29 | C30 | O39 | 119.3° | 120.1° |
N29 | C30 | C31 | 121.6° | 120.0° |
O24 | C23 | C17 | 123.2° | 126.2° |
C23 | C17 | C20 | 106.1° | 106.4° |
C23 | C17 | C16 | 134.8° | 134.2° |
O39 | C30 | C31 | 119.0° | 120.0° |
C30 | C31 | C32 | 108.8° | 109.5° |
C30 | C31 | H5 | 109.6° | 109.5° |
C30 | C31 | H6 | 109.6° | 109.5° |
C32 | C31 | H5 | 109.6° | 109.5° |
C32 | C31 | H6 | 109.6° | 109.5° |
C31 | C32 | H7 | 109.5° | 109.5° |
C31 | C32 | H8 | 109.5° | 109.5° |
C31 | C32 | H9 | 109.5° | 109.5° |
C17 | C20 | N19 | 121.4° | 120.2° |
C20 | C17 | C16 | 119.1° | 119.4° |
C20 | N19 | C18 | 121.2° | 121.8° |
C17 | C16 | C15 | 117.7° | 118.0° |
C17 | C16 | H2 | 121.2° | 121.0° |
N19 | C18 | C15 | 119.3° | 121.4° |
N19 | C18 | H16 | 120.4° | 119.3° |
C16 | C15 | C18 | 121.4° | 119.3° |
C16 | C15 | C14 | 119.2° | 120.4° |
C15 | C16 | H2 | 121.2° | 121.0° |
C18 | C15 | C14 | 119.4° | 120.4° |
C15 | C18 | H16 | 120.4° | 119.3° |
C15 | C14 | N12 | 122.9° | 125.7° |
C15 | C14 | C13 | 129.5° | 125.6° |
N12 | C14 | C13 | 107.6° | 108.7° |
C14 | N12 | N11 | 108.7° | 109.8° |
C14 | C13 | N10 | 104.9° | 106.7° |
C14 | C13 | H1 | 127.5° | 126.7° |
N12 | N11 | N10 | 108.7° | 108.3° |
C13 | N10 | N11 | 110.1° | 106.5° |
C13 | N10 | C09 | 127.6° | 126.8° |
N10 | C13 | H1 | 127.5° | 126.6° |
N11 | N10 | C09 | 122.1° | 126.7° |
N10 | C09 | C40 | 111.3° | 120.1° |
N10 | C09 | C07 | 128.8° | 120.0° |
F41 | C40 | C09 | 119.4° | 120.1° |
F41 | C40 | C04 | 119.1° | 120.1° |
C40 | C09 | C07 | 119.9° | 119.9° |
C09 | C40 | C04 | 121.5° | 119.9° |
C09 | C07 | F08 | 120.7° | 120.0° |
C09 | C07 | C06 | 118.8° | 120.0° |
F08 | C07 | C06 | 120.5° | 120.0° |
C40 | C04 | N03 | 112.7° | 120.0° |
C40 | C04 | C05 | 120.8° | 119.9° |
C07 | C06 | C05 | 120.7° | 120.1° |
C07 | C06 | H15 | 119.7° | 120.0° |
N03 | C04 | C05 | 126.4° | 120.0° |
C04 | N03 | S02 | 119.9° | 120.0° |
C04 | N03 | H27 | 106.8° | 120.0° |
C04 | C05 | C06 | 118.2° | 120.1° |
C04 | C05 | H14 | 120.9° | 119.9° |
N03 | S02 | O54 | 111.4° | 106.4° |
N03 | S02 | C42 | 112.9° | 107.2° |
N03 | S02 | O01 | 107.9° | 106.4° |
S02 | N03 | H27 | 106.8° | 120.0° |
C06 | C05 | H14 | 120.9° | 120.0° |
C05 | C06 | H15 | 119.6° | 119.9° |
C44 | C43 | C42 | 119.2° | 120.3° |
C43 | C44 | C45 | 120.6° | 120.1° |
C44 | C43 | H18 | 120.4° | 119.8° |
C43 | C44 | H19 | 119.7° | 120.0° |
C43 | C42 | S02 | 123.5° | 119.9° |
C43 | C42 | C53 | 120.4° | 120.1° |
C42 | C43 | H18 | 120.4° | 119.9° |
O54 | S02 | C42 | 110.7° | 106.4° |
O54 | S02 | O01 | 102.7° | 123.2° |
C42 | S02 | O01 | 110.7° | 106.4° |
S02 | C42 | C53 | 116.0° | 120.0° |
C44 | C45 | C46 | 118.8° | 119.9° |
C45 | C44 | H19 | 119.7° | 119.9° |
C44 | C45 | H20 | 120.6° | 120.1° |
C42 | C53 | C46 | 120.1° | 119.9° |
C42 | C53 | H26 | 119.9° | 120.1° |
C45 | C46 | C53 | 121.0° | 119.8° |
C45 | C46 | C47 | 123.8° | 120.1° |
C46 | C45 | H20 | 120.6° | 120.1° |
C53 | C46 | C47 | 115.2° | 120.1° |
C46 | C53 | H26 | 119.9° | 120.0° |
C46 | C47 | C52 | 121.2° | 120.1° |
C46 | C47 | C48 | 117.6° | 120.1° |
C52 | C47 | C48 | 121.2° | 119.7° |
C47 | C52 | C51 | 119.3° | 119.9° |
C47 | C52 | H25 | 120.4° | 120.1° |
C47 | C48 | C49 | 119.4° | 119.9° |
C47 | C48 | H21 | 120.3° | 120.0° |
C52 | C51 | C50 | 119.6° | 120.1° |
C52 | C51 | H24 | 120.2° | 119.9° |
C51 | C52 | H25 | 120.4° | 120.1° |
C48 | C49 | C50 | 119.4° | 120.1° |
C49 | C48 | H21 | 120.3° | 120.1° |
C48 | C49 | H22 | 120.3° | 119.9° |
C51 | C50 | C49 | 121.1° | 120.3° |
C51 | C50 | H23 | 119.5° | 119.9° |
C50 | C51 | H24 | 120.2° | 119.9° |
C50 | C49 | H22 | 120.3° | 120.0° |
C49 | C50 | H23 | 119.4° | 119.9° |
H3 | C27 | H4 | 109.5° | 110.9° |
H5 | C31 | H6 | 109.5° | 109.5° |
H7 | C32 | H8 | 109.5° | 109.4° |
H7 | C32 | H9 | 109.5° | 109.5° |
H8 | C32 | H9 | 109.5° | 109.5° |
H10 | C26 | H11 | 109.5° | 109.8° |
H12 | C28 | H13 | 109.5° | 110.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C25 | C27 | C28 | H3 | 118.3° | 118.1° |
C25 | C27 | C28 | H4 | 118.3° | 118.0° |
C27 | C25 | C26 | O24 | 109.6° | 118.4° |
C27 | C25 | C26 | H17 | 120.9° | 118.3° |
C27 | C25 | O24 | H17 | 123.2° | 123.3° |
C27 | C25 | C26 | N29 | 33.3° | 22.2° |
C25 | C27 | C28 | N29 | 37.4° | 37.0° |
C27 | C25 | O24 | C23 | 103.2° | 91.4° |
C25 | C27 | H3 | H4 | 124.7° | 123.8° |
C27 | C25 | C26 | H10 | 152.1° | 141.6° |
C27 | C25 | C26 | H11 | 85.4° | 97.3° |
C25 | C27 | C28 | H12 | 156.0° | 81.8° |
C25 | C27 | C28 | H13 | 81.3° | 155.9° |
C28 | C27 | C25 | C26 | 45.8° | 35.5° |
C28 | C27 | C25 | O24 | 65.4° | 153.9° |
C27 | C28 | N29 | C26 | 19.5° | 24.2° |
C27 | C28 | N29 | H12 | 118.7° | 118.9° |
C27 | C28 | N29 | H13 | 118.7° | 118.8° |
C27 | C28 | N29 | C30 | 159.7° | 155.8° |
C28 | C27 | H3 | H4 | 124.7° | 123.9° |
C27 | C28 | H12 | H13 | 123.8° | 122.3° |
C28 | C27 | C25 | H17 | 169.0° | 82.8° |
C26 | C25 | O24 | H17 | 129.1° | 123.2° |
C25 | C26 | N29 | H10 | 118.8° | 119.4° |
C25 | C26 | N29 | H11 | 118.7° | 119.6° |
C25 | C26 | N29 | C28 | 10.6° | 1.1° |
C25 | C26 | N29 | C30 | 170.3° | 178.9° |
C26 | C25 | O24 | C23 | 149.1° | 155.0° |
C26 | C25 | C27 | H3 | 72.5° | 82.6° |
C26 | C25 | C27 | H4 | 164.1° | 153.6° |
C25 | C26 | H10 | H11 | 123.5° | 121.2° |
C25 | O24 | C23 | N22 | 11.5° | 0.1° |
O24 | C25 | C26 | N29 | 76.3° | 140.6° |
C25 | O24 | C23 | C17 | 168.6° | 180.0° |
O24 | C25 | C27 | H3 | 176.3° | 35.7° |
O24 | C25 | C27 | H4 | 53.0° | 88.1° |
O24 | C25 | C26 | H10 | 42.5° | 100.0° |
O24 | C25 | C26 | H11 | 164.9° | 21.1° |
N22 | N21 | C20 | H28 | 180.0° | 180.0° |
N21 | N22 | C23 | O24 | 180.0° | 180.0° |
N21 | N22 | C23 | C17 | 0.1° | 0.0° |
N22 | N21 | C20 | C17 | 0.1° | 0.0° |
N22 | N21 | C20 | N19 | 179.8° | 179.6° |
C23 | N22 | N21 | C20 | 0.0° | 0.0° |
N22 | C23 | O24 | C17 | 179.9° | 180.0° |
N22 | C23 | C17 | C20 | 0.1° | 0.0° |
N22 | C23 | C17 | C16 | 180.0° | 180.0° |
C23 | N22 | N21 | H28 | 180.0° | 180.0° |
C26 | N29 | C28 | C30 | 179.2° | 180.0° |
C26 | N29 | C30 | O39 | 179.5° | 0.0° |
C26 | N29 | C30 | C31 | 0.2° | 180.0° |
N29 | C26 | H10 | H11 | 123.6° | 121.0° |
C26 | N29 | C28 | H12 | 138.2° | 94.7° |
C26 | N29 | C28 | H13 | 99.2° | 143.0° |
N29 | C26 | C25 | H17 | 154.3° | 96.2° |
C28 | N29 | C30 | O39 | 0.4° | 180.0° |
C28 | N29 | C30 | C31 | 179.3° | 0.0° |
N29 | C28 | C27 | H3 | 81.0° | 81.1° |
N29 | C28 | C27 | H4 | 155.7° | 155.1° |
C28 | N29 | C26 | H10 | 129.4° | 118.4° |
C28 | N29 | C26 | H11 | 108.2° | 120.7° |
N29 | C28 | H12 | H13 | 123.7° | 122.3° |
N21 | C20 | C17 | C23 | 0.1° | 0.0° |
N21 | C20 | C17 | N19 | 179.9° | 179.7° |
N21 | C20 | C17 | C16 | 180.0° | 180.0° |
N21 | C20 | N19 | C18 | 179.9° | 180.0° |
N29 | C30 | O39 | C31 | 179.7° | 180.0° |
N29 | C30 | C31 | C32 | 165.5° | 180.0° |
N29 | C30 | C31 | H5 | 45.6° | 60.0° |
N29 | C30 | C31 | H6 | 74.6° | 60.0° |
C30 | N29 | C26 | H10 | 51.5° | 61.7° |
C30 | N29 | C26 | H11 | 71.0° | 59.3° |
C30 | N29 | C28 | H12 | 41.0° | 85.3° |
C30 | N29 | C28 | H13 | 81.6° | 37.0° |
O24 | C23 | C17 | C20 | 179.9° | 180.0° |
O24 | C23 | C17 | C16 | 0.1° | 0.0° |
C23 | O24 | C25 | H17 | 19.9° | 31.8° |
C23 | C17 | C20 | C16 | 179.9° | 180.0° |
C23 | C17 | C20 | N19 | 179.8° | 179.7° |
C23 | C17 | C16 | C15 | 179.7° | 180.0° |
C23 | C17 | C16 | H2 | 0.3° | 0.0° |
O39 | C30 | C31 | C32 | 14.8° | 0.0° |
O39 | C30 | C31 | H5 | 134.7° | 120.0° |
O39 | C30 | C31 | H6 | 105.1° | 120.0° |
C30 | C31 | C32 | H5 | 119.9° | 120.0° |
C30 | C31 | C32 | H6 | 119.9° | 120.0° |
C30 | C31 | H5 | H6 | 120.3° | 120.0° |
C30 | C31 | C32 | H7 | 180.0° | 60.0° |
C30 | C31 | C32 | H8 | 60.0° | 180.0° |
C30 | C31 | C32 | H9 | 60.0° | 60.0° |
C32 | C31 | H5 | H6 | 120.3° | 120.0° |
C31 | C32 | H7 | H8 | 120.0° | 120.0° |
C31 | C32 | H7 | H9 | 120.0° | 120.0° |
C31 | C32 | H8 | H9 | 120.0° | 120.0° |
C17 | C20 | N19 | C18 | 0.0° | 0.4° |
C20 | C17 | C16 | C15 | 0.2° | 0.0° |
C20 | C17 | C16 | H2 | 179.8° | 180.0° |
C17 | C20 | N21 | H28 | 179.9° | 180.0° |
N19 | C20 | C17 | C16 | 0.1° | 0.3° |
C20 | N19 | C18 | C15 | 0.0° | 0.1° |
C20 | N19 | C18 | H16 | 180.0° | 180.0° |
N19 | C20 | N21 | H28 | 0.2° | 0.3° |
C17 | C16 | C15 | H2 | 180.0° | 180.0° |
C17 | C16 | C15 | C18 | 0.2° | 0.3° |
C17 | C16 | C15 | C14 | 179.7° | 180.0° |
N19 | C18 | C15 | C16 | 0.1° | 0.2° |
N19 | C18 | C15 | H16 | 180.0° | 179.9° |
N19 | C18 | C15 | C14 | 179.8° | 180.0° |
C16 | C15 | C18 | C14 | 179.9° | 179.8° |
C16 | C15 | C14 | N12 | 20.1° | 0.0° |
C16 | C15 | C14 | C13 | 158.9° | 180.0° |
C16 | C15 | C18 | H16 | 179.9° | 179.7° |
C18 | C15 | C14 | N12 | 159.9° | 179.8° |
C18 | C15 | C14 | C13 | 21.0° | 0.2° |
C18 | C15 | C16 | H2 | 179.8° | 179.7° |
C15 | C14 | N12 | C13 | 179.2° | 179.9° |
C15 | C14 | N12 | N11 | 179.4° | 180.0° |
C15 | C14 | C13 | N10 | 178.1° | 180.0° |
C15 | C14 | C13 | H1 | 1.9° | 0.3° |
C14 | C15 | C16 | H2 | 0.3° | 0.0° |
C14 | C15 | C18 | H16 | 0.2° | 0.1° |
N12 | C14 | C13 | N10 | 1.0° | 0.0° |
C14 | N12 | N11 | N10 | 1.4° | 0.0° |
N12 | C14 | C13 | H1 | 179.0° | 179.7° |
C13 | C14 | N12 | N11 | 0.2° | 0.0° |
C14 | C13 | N10 | H1 | 180.0° | 179.7° |
C14 | C13 | N10 | N11 | 1.9° | 0.0° |
C14 | C13 | N10 | C09 | 177.1° | 179.7° |
N12 | N11 | N10 | C13 | 2.1° | 0.0° |
N12 | N11 | N10 | C09 | 177.7° | 179.7° |
C13 | N10 | N11 | C09 | 175.6° | 179.8° |
C13 | N10 | C09 | C40 | 101.9° | 180.0° |
C13 | N10 | C09 | C07 | 79.7° | 0.5° |
N11 | N10 | C09 | C40 | 72.8° | 0.3° |
N11 | N10 | C09 | C07 | 105.6° | 179.2° |
N11 | N10 | C13 | H1 | 178.1° | 179.7° |
N10 | C09 | C40 | F41 | 1.1° | 0.6° |
N10 | C09 | C40 | C07 | 178.6° | 179.4° |
N10 | C09 | C07 | F08 | 1.2° | 0.3° |
N10 | C09 | C40 | C04 | 179.5° | 180.0° |
N10 | C09 | C07 | C06 | 179.3° | 179.8° |
C09 | N10 | C13 | H1 | 2.9° | 0.0° |
F41 | C40 | C09 | C04 | 179.5° | 179.4° |
F41 | C40 | C09 | C07 | 179.6° | 180.0° |
F41 | C40 | C04 | N03 | 0.5° | 0.4° |
F41 | C40 | C04 | C05 | 179.7° | 180.0° |
C40 | C09 | C07 | F08 | 179.5° | 179.8° |
C40 | C09 | C07 | C06 | 1.0° | 0.3° |
C09 | C40 | C04 | N03 | 178.9° | 179.8° |
C09 | C40 | C04 | C05 | 0.3° | 0.6° |
C09 | C07 | F08 | C06 | 179.5° | 179.9° |
C07 | C09 | C40 | C04 | 0.9° | 0.6° |
C09 | C07 | C06 | C05 | 0.5° | 0.1° |
C09 | C07 | C06 | H15 | 179.5° | 180.0° |
F08 | C07 | C06 | C05 | 180.0° | 180.0° |
F08 | C07 | C06 | H15 | 0.0° | 0.1° |
C40 | C04 | N03 | C05 | 179.1° | 179.7° |
C40 | C04 | N03 | S02 | 173.7° | 144.8° |
C40 | C04 | C05 | C06 | 0.2° | 0.3° |
C40 | C04 | C05 | H14 | 179.8° | 179.8° |
C40 | C04 | N03 | H27 | 52.2° | 35.2° |
C07 | C06 | C05 | C04 | 0.1° | 0.0° |
C07 | C06 | C05 | H15 | 180.0° | 180.0° |
C07 | C06 | C05 | H14 | 179.9° | 180.0° |
C04 | N03 | S02 | H27 | 121.5° | 180.0° |
N03 | C04 | C05 | C06 | 179.3° | 180.0° |
C04 | N03 | S02 | O54 | 164.7° | 173.9° |
C04 | N03 | S02 | C42 | 70.0° | 60.4° |
C04 | N03 | S02 | O01 | 52.7° | 53.2° |
N03 | C04 | C05 | H14 | 0.7° | 0.1° |
C05 | C04 | N03 | S02 | 7.2° | 35.6° |
C04 | C05 | C06 | H14 | 180.0° | 180.0° |
C04 | C05 | C06 | H15 | 179.9° | 180.0° |
C05 | C04 | N03 | H27 | 128.6° | 144.5° |
N03 | S02 | C42 | C43 | 44.0° | 89.8° |
N03 | S02 | O54 | C42 | 126.6° | 114.1° |
N03 | S02 | O54 | O01 | 115.2° | 123.0° |
N03 | S02 | C42 | O01 | 121.1° | 113.5° |
N03 | S02 | C42 | C53 | 136.6° | 90.0° |
C44 | C43 | C42 | H18 | 180.0° | 180.0° |
C44 | C43 | C42 | S02 | 179.7° | 179.7° |
C43 | C44 | C45 | H19 | 180.0° | 180.0° |
C44 | C43 | C42 | C53 | 0.3° | 0.0° |
C43 | C44 | C45 | C46 | 0.2° | 0.0° |
C43 | C44 | C45 | H20 | 179.8° | 180.0° |
C43 | C42 | S02 | O54 | 81.7° | 156.7° |
C43 | C42 | S02 | C53 | 179.4° | 179.8° |
C43 | C42 | S02 | O01 | 165.1° | 23.8° |
C42 | C43 | C44 | C45 | 0.1° | 0.0° |
C43 | C42 | C53 | C46 | 0.3° | 0.1° |
C42 | C43 | C44 | H19 | 179.9° | 180.0° |
C43 | C42 | C53 | H26 | 179.8° | 180.0° |
O54 | S02 | C42 | O01 | 113.2° | 132.9° |
O54 | S02 | C42 | C53 | 97.7° | 23.5° |
O54 | S02 | N03 | H27 | 43.2° | 6.1° |
S02 | C42 | C53 | C46 | 179.7° | 179.7° |
S02 | C42 | C43 | H18 | 0.3° | 0.3° |
S02 | C42 | C53 | H26 | 0.4° | 0.2° |
C42 | S02 | N03 | H27 | 168.6° | 119.6° |
O01 | S02 | C42 | C53 | 15.6° | 156.4° |
O01 | S02 | N03 | H27 | 68.7° | 126.9° |
C44 | C45 | C46 | H20 | 180.0° | 180.0° |
C44 | C45 | C46 | C53 | 0.3° | 0.1° |
C44 | C45 | C46 | C47 | 179.5° | 180.0° |
C45 | C44 | C43 | H18 | 179.9° | 180.0° |
C42 | C53 | C46 | C45 | 0.0° | 0.1° |
C42 | C53 | C46 | H26 | 180.0° | 179.9° |
C42 | C53 | C46 | C47 | 179.4° | 180.0° |
C53 | C42 | C43 | H18 | 179.7° | 179.9° |
C45 | C46 | C53 | C47 | 179.3° | 179.9° |
C45 | C46 | C47 | C52 | 21.9° | 0.1° |
C45 | C46 | C47 | C48 | 159.2° | 179.7° |
C46 | C45 | C44 | H19 | 179.8° | 180.0° |
C45 | C46 | C53 | H26 | 179.9° | 180.0° |
C53 | C46 | C47 | C52 | 157.4° | 180.0° |
C53 | C46 | C47 | C48 | 21.5° | 0.2° |
C53 | C46 | C45 | H20 | 179.7° | 180.0° |
C46 | C47 | C52 | C48 | 178.8° | 179.8° |
C46 | C47 | C52 | C51 | 179.4° | 179.7° |
C46 | C47 | C48 | C49 | 179.4° | 180.0° |
C47 | C46 | C45 | H20 | 0.4° | 0.1° |
C46 | C47 | C48 | H21 | 0.6° | 0.1° |
C46 | C47 | C52 | H25 | 0.6° | 0.0° |
C47 | C46 | C53 | H26 | 0.6° | 0.1° |
C47 | C52 | C51 | H25 | 180.0° | 179.7° |
C52 | C47 | C48 | C49 | 0.5° | 0.2° |
C47 | C52 | C51 | C50 | 0.5° | 0.5° |
C52 | C47 | C48 | H21 | 179.5° | 179.7° |
C47 | C52 | C51 | H24 | 179.5° | 179.7° |
C48 | C47 | C52 | C51 | 0.6° | 0.5° |
C47 | C48 | C49 | H21 | 180.0° | 179.9° |
C47 | C48 | C49 | C50 | 0.4° | 0.1° |
C47 | C48 | C49 | H22 | 179.6° | 180.0° |
C48 | C47 | C52 | H25 | 179.4° | 179.8° |
C52 | C51 | C50 | H24 | 180.0° | 179.8° |
C52 | C51 | C50 | C49 | 0.4° | 0.2° |
C52 | C51 | C50 | H23 | 179.6° | 179.7° |
C48 | C49 | C50 | C51 | 0.3° | 0.1° |
C48 | C49 | C50 | H22 | 180.0° | 179.9° |
C48 | C49 | C50 | H23 | 179.7° | 180.0° |
C51 | C50 | C49 | H23 | 180.0° | 179.9° |
C51 | C50 | C49 | H22 | 179.7° | 180.0° |
C50 | C51 | C52 | H25 | 179.5° | 179.7° |
C50 | C49 | C48 | H21 | 179.6° | 180.0° |
C49 | C50 | C51 | H24 | 179.6° | 180.0° |
H3 | C27 | C28 | H12 | 37.7° | 160.1° |
H3 | C27 | C28 | H13 | 160.3° | 37.7° |
H3 | C27 | C25 | H17 | 50.7° | 159.0° |
H4 | C27 | C28 | H12 | 85.7° | 36.2° |
H4 | C27 | C28 | H13 | 37.0° | 86.1° |
H4 | C27 | C25 | H17 | 72.7° | 35.3° |
H5 | C31 | C32 | H7 | 60.1° | 60.0° |
H5 | C31 | C32 | H8 | 179.9° | 60.0° |
H5 | C31 | C32 | H9 | 59.9° | 180.0° |
H6 | C31 | C32 | H7 | 60.1° | NaN° |
H6 | C31 | C32 | H8 | 59.9° | 60.0° |
H6 | C31 | C32 | H9 | 179.9° | 60.0° |
H7 | C32 | H8 | H9 | 120.0° | 120.0° |
H10 | C26 | C25 | H17 | 86.9° | 23.3° |
H11 | C26 | C25 | H17 | 35.5° | 144.3° |
H14 | C05 | C06 | H15 | 0.1° | 0.1° |
H18 | C43 | C44 | H19 | 0.1° | 0.0° |
H19 | C44 | C45 | H20 | 0.2° | 0.0° |
H21 | C48 | C49 | H22 | 0.4° | 0.1° |
H22 | C49 | C50 | H23 | 0.3° | 0.1° |
H23 | C50 | C51 | H24 | 0.4° | 0.1° |
H24 | C51 | C52 | H25 | 0.5° | 0.0° |