UIP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C3 | doub | 1.30Å | 1.34Å | |
N1 | HN1 | sing | 0.97Å | 1.02Å | |
C3 | N2 | sing | 1.38Å | 1.37Å | |
C3 | C4 | sing | 1.48Å | 1.43Å | |
N2 | HN21 | sing | 0.97Å | 1.02Å | |
N2 | HN22 | sing | 0.97Å | 1.02Å | |
C4 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
C4 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
C9 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
C9 | H9 | sing | 1.08Å | 1.10Å | |
C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
C7 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
C7 | C10 | sing | 1.51Å | 1.50Å | |
C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
C6 | H6 | sing | 1.08Å | 1.10Å | |
C5 | H5 | sing | 1.08Å | 1.10Å | |
C10 | N11 | sing | 1.47Å | 1.50Å | |
C10 | C22 | sing | 1.56Å | 1.53Å | |
C10 | H10 | sing | 1.09Å | 1.12Å | |
N11 | C12 | sing | 1.51Å | 1.50Å | |
N11 | C15 | sing | 1.48Å | 1.52Å | |
C12 | C13 | sing | 1.55Å | 1.55Å | |
C12 | H121 | sing | 1.09Å | 1.11Å | |
C12 | H122 | sing | 1.09Å | 1.12Å | |
C13 | C14 | sing | 1.55Å | 1.51Å | |
C13 | H131 | sing | 1.09Å | 1.12Å | |
C13 | H132 | sing | 1.09Å | 1.12Å | |
C14 | C15 | sing | 1.54Å | 1.55Å | |
C14 | H141 | sing | 1.09Å | 1.12Å | |
C14 | H142 | sing | 1.09Å | 1.11Å | |
C15 | C16 | sing | 1.53Å | 1.56Å | |
C15 | H15 | sing | 1.09Å | 1.11Å | |
C16 | C17 | sing | 1.54Å | 1.56Å | |
C16 | C22 | sing | 1.55Å | 1.55Å | |
C16 | H16 | sing | 1.09Å | 1.12Å | |
C17 | N19 | sing | 1.47Å | 1.44Å | |
C17 | C18 | sing | 1.53Å | 1.55Å | |
C17 | H17 | sing | 1.09Å | 1.12Å | |
N19 | C20 | sing | 1.36Å | 1.37Å | |
N19 | C23 | sing | 1.46Å | 1.50Å | |
C20 | O21 | doub | 1.21Å | 1.27Å | |
C20 | C22 | sing | 1.51Å | 1.54Å | |
C22 | H22 | sing | 1.09Å | 1.11Å | |
C23 | C24 | sing | 1.51Å | 1.52Å | |
C23 | H231 | sing | 1.09Å | 1.11Å | |
C23 | H232 | sing | 1.09Å | 1.12Å | |
C24 | C32 | doub | 1.38Å | 1.43Å | Aromatic |
C24 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
C32 | C31 | sing | 1.38Å | 1.41Å | Aromatic |
C32 | H32 | sing | 1.08Å | 1.10Å | |
C31 | C30 | doub | 1.38Å | 1.41Å | Aromatic |
C31 | H31 | sing | 1.08Å | 1.10Å | |
C30 | O29 | sing | 1.36Å | 1.39Å | |
C30 | C26 | sing | 1.39Å | 1.41Å | Aromatic |
O29 | C28 | sing | 1.44Å | 1.47Å | |
C28 | O27 | sing | 1.44Å | 1.46Å | |
C28 | H281 | sing | 1.09Å | 1.11Å | |
C28 | H282 | sing | 1.09Å | 1.11Å | |
O27 | C26 | sing | 1.36Å | 1.41Å | |
C26 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
C25 | H25 | sing | 1.08Å | 1.10Å | |
C18 | C42 | sing | 1.53Å | 1.52Å | |
C18 | H181 | sing | 1.09Å | 1.11Å | |
C18 | H182 | sing | 1.09Å | 1.11Å | |
C42 | H421 | sing | 1.09Å | 1.11Å | |
C42 | H422 | sing | 1.09Å | 1.12Å | |
C42 | H423 | sing | 1.09Å | 1.12Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C3 | N1 | HN1 | 119.9° | 120.0° |
N1 | C3 | N2 | 115.5° | 120.0° |
N1 | C3 | C4 | 122.3° | 120.0° |
N2 | C3 | C4 | 121.4° | 120.0° |
C3 | N2 | HN21 | 115.5° | 120.0° |
C3 | N2 | HN22 | 110.1° | 120.0° |
C3 | C4 | C9 | 121.9° | 120.1° |
C3 | C4 | C5 | 119.8° | 120.2° |
HN21 | N2 | HN22 | 110.0° | 120.0° |
C9 | C4 | C5 | 118.0° | 119.7° |
C4 | C9 | C8 | 119.8° | 119.9° |
C4 | C9 | H9 | 120.0° | 120.1° |
C4 | C5 | C6 | 122.4° | 119.9° |
C4 | C5 | H5 | 119.6° | 120.1° |
C8 | C9 | H9 | 120.2° | 120.0° |
C9 | C8 | C7 | 121.9° | 120.1° |
C9 | C8 | H8 | 119.4° | 120.0° |
C7 | C8 | H8 | 118.8° | 119.9° |
C8 | C7 | C6 | 118.3° | 120.3° |
C8 | C7 | C10 | 122.9° | 119.9° |
C6 | C7 | C10 | 118.6° | 119.9° |
C7 | C6 | C5 | 119.6° | 120.2° |
C7 | C6 | H6 | 121.1° | 119.9° |
C7 | C10 | N11 | 112.6° | 109.7° |
C7 | C10 | C22 | 121.5° | 110.5° |
C7 | C10 | H10 | 96.8° | 109.7° |
C5 | C6 | H6 | 119.3° | 119.9° |
C6 | C5 | H5 | 118.0° | 120.1° |
N11 | C10 | C22 | 106.2° | 108.1° |
N11 | C10 | H10 | 115.1° | 109.8° |
C10 | N11 | C12 | 114.3° | 105.2° |
C10 | N11 | C15 | 103.5° | 109.3° |
C22 | C10 | H10 | 104.4° | 109.0° |
C10 | C22 | C16 | 102.6° | 103.7° |
C10 | C22 | C20 | 115.1° | 109.7° |
C10 | C22 | H22 | 108.8° | 112.4° |
C12 | N11 | C15 | 107.1° | 105.0° |
N11 | C12 | C13 | 106.2° | 103.9° |
N11 | C12 | H121 | 113.5° | 110.7° |
N11 | C12 | H122 | 113.5° | 110.3° |
N11 | C15 | C14 | 103.5° | 108.5° |
N11 | C15 | C16 | 107.5° | 107.1° |
N11 | C15 | H15 | 113.8° | 110.4° |
C13 | C12 | H121 | 113.4° | 110.6° |
C13 | C12 | H122 | 113.4° | 110.6° |
C12 | C13 | C14 | 105.7° | 102.9° |
C12 | C13 | H131 | 113.6° | 110.7° |
C12 | C13 | H132 | 113.6° | 110.8° |
H121 | C12 | H122 | 97.0° | 110.6° |
C14 | C13 | H131 | 113.6° | 110.7° |
C14 | C13 | H132 | 113.6° | 110.7° |
C13 | C14 | C15 | 102.6° | 105.0° |
C13 | C14 | H141 | 114.8° | 110.3° |
C13 | C14 | H142 | 114.8° | 110.3° |
H131 | C13 | H132 | 96.8° | 110.8° |
C15 | C14 | H141 | 114.9° | 110.3° |
C15 | C14 | H142 | 114.9° | 110.3° |
C14 | C15 | C16 | 107.4° | 110.0° |
C14 | C15 | H15 | 113.9° | 110.4° |
H141 | C14 | H142 | 95.6° | 110.4° |
C16 | C15 | H15 | 110.2° | 110.4° |
C15 | C16 | C17 | 112.6° | 109.1° |
C15 | C16 | C22 | 105.3° | 104.5° |
C15 | C16 | H16 | 108.5° | 113.4° |
C17 | C16 | C22 | 103.7° | 101.6° |
C17 | C16 | H16 | 109.9° | 113.4° |
C16 | C17 | N19 | 103.9° | 105.7° |
C16 | C17 | C18 | 113.6° | 110.2° |
C16 | C17 | H17 | 112.2° | 110.2° |
C22 | C16 | H16 | 116.8° | 113.7° |
C16 | C22 | C20 | 103.8° | 104.8° |
C16 | C22 | H22 | 119.2° | 113.2° |
N19 | C17 | C18 | 114.0° | 110.2° |
N19 | C17 | H17 | 111.8° | 110.2° |
C17 | N19 | C20 | 113.4° | 111.5° |
C17 | N19 | C23 | 130.7° | 124.2° |
C18 | C17 | H17 | 101.7° | 110.2° |
C17 | C18 | C42 | 113.7° | 109.5° |
C17 | C18 | H181 | 110.6° | 109.5° |
C17 | C18 | H182 | 110.7° | 109.5° |
C20 | N19 | C23 | 115.4° | 124.3° |
N19 | C20 | O21 | 123.8° | 125.7° |
N19 | C20 | C22 | 108.6° | 109.4° |
N19 | C23 | C24 | 115.5° | 109.5° |
N19 | C23 | H231 | 110.0° | 109.4° |
N19 | C23 | H232 | 110.0° | 109.5° |
O21 | C20 | C22 | 125.1° | 124.9° |
C20 | C22 | H22 | 107.7° | 112.4° |
C24 | C23 | H231 | 110.1° | 109.5° |
C24 | C23 | H232 | 110.1° | 109.5° |
C23 | C24 | C32 | 120.9° | 119.9° |
C23 | C24 | C25 | 118.4° | 119.9° |
H231 | C23 | H232 | 100.2° | 109.5° |
C32 | C24 | C25 | 120.4° | 120.2° |
C24 | C32 | C31 | 122.3° | 120.1° |
C24 | C32 | H32 | 119.6° | 119.9° |
C24 | C25 | C26 | 117.8° | 120.1° |
C24 | C25 | H25 | 121.1° | 120.0° |
C31 | C32 | H32 | 118.1° | 120.0° |
C32 | C31 | C30 | 115.8° | 120.1° |
C32 | C31 | H31 | 122.3° | 120.0° |
C30 | C31 | H31 | 121.9° | 120.0° |
C31 | C30 | O29 | 128.3° | 131.5° |
C31 | C30 | C26 | 122.7° | 119.8° |
O29 | C30 | C26 | 107.1° | 108.6° |
C30 | O29 | C28 | 104.0° | 105.5° |
C30 | C26 | O27 | 109.1° | 108.7° |
C30 | C26 | C25 | 121.0° | 119.8° |
O29 | C28 | O27 | 109.5° | 103.7° |
O29 | C28 | H281 | 112.2° | 110.6° |
O29 | C28 | H282 | 112.2° | 110.6° |
O27 | C28 | H281 | 112.2° | 110.6° |
O27 | C28 | H282 | 112.2° | 110.5° |
C28 | O27 | C26 | 101.7° | 105.5° |
H281 | C28 | H282 | 98.3° | 110.6° |
O27 | C26 | C25 | 127.4° | 131.6° |
C26 | C25 | H25 | 121.2° | 120.0° |
C42 | C18 | H181 | 110.7° | 109.4° |
C42 | C18 | H182 | 110.7° | 109.5° |
C18 | C42 | H421 | 113.7° | 109.4° |
C18 | C42 | H422 | 110.7° | 109.5° |
C18 | C42 | H423 | 110.7° | 109.4° |
H181 | C18 | H182 | 99.7° | 109.6° |
H421 | C42 | H422 | 110.7° | 109.5° |
H421 | C42 | H423 | 110.7° | 109.5° |
H422 | C42 | H423 | 99.6° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | C3 | N2 | C4 | 169.7° | 180.0° |
N1 | C3 | N2 | HN21 | 180.0° | 0.0° |
N1 | C3 | N2 | HN22 | 54.7° | 180.0° |
N1 | C3 | C4 | C9 | 6.2° | 0.0° |
N1 | C3 | C4 | C5 | 167.1° | 180.0° |
HN1 | N1 | C3 | N2 | 17.9° | 0.0° |
HN1 | N1 | C3 | C4 | 151.6° | 180.0° |
C3 | N2 | HN21 | HN22 | 125.3° | 180.0° |
N2 | C3 | C4 | C9 | 162.8° | 179.9° |
N2 | C3 | C4 | C5 | 23.9° | 0.1° |
C4 | C3 | N2 | HN21 | 10.3° | 180.0° |
C4 | C3 | N2 | HN22 | 115.0° | 0.1° |
C3 | C4 | C9 | C5 | 173.4° | 180.0° |
C3 | C4 | C9 | C8 | 172.8° | 180.0° |
C3 | C4 | C9 | H9 | 7.2° | 0.0° |
C3 | C4 | C5 | C6 | 173.5° | 179.7° |
C3 | C4 | C5 | H5 | 6.4° | 0.1° |
C4 | C9 | C8 | H9 | 180.0° | 179.9° |
C4 | C9 | C8 | C7 | 1.8° | 0.0° |
C4 | C9 | C8 | H8 | 178.2° | 179.9° |
C9 | C4 | C5 | C6 | 0.0° | 0.3° |
C9 | C4 | C5 | H5 | 180.0° | 179.9° |
C5 | C4 | C9 | C8 | 0.7° | 0.0° |
C5 | C4 | C9 | H9 | 179.4° | 180.0° |
C4 | C5 | C6 | C7 | 0.5° | 0.6° |
C4 | C5 | C6 | H5 | 180.0° | 179.7° |
C4 | C5 | C6 | H6 | 179.5° | 180.0° |
C9 | C8 | C7 | H8 | 180.0° | 179.9° |
C9 | C8 | C7 | C6 | 2.2° | 0.3° |
C9 | C8 | C7 | C10 | 173.1° | 180.0° |
H9 | C9 | C8 | C7 | 178.2° | 180.0° |
H9 | C9 | C8 | H8 | 1.8° | 0.0° |
C8 | C7 | C6 | C10 | 175.5° | 179.7° |
C8 | C7 | C6 | C5 | 1.6° | 0.6° |
C8 | C7 | C6 | H6 | 178.4° | 180.0° |
C8 | C7 | C10 | N11 | 40.4° | 31.4° |
C8 | C7 | C10 | C22 | 87.2° | 87.7° |
C8 | C7 | C10 | H10 | 161.3° | 152.1° |
H8 | C8 | C7 | C6 | 177.8° | 179.8° |
H8 | C8 | C7 | C10 | 7.0° | 0.1° |
C7 | C6 | C5 | H6 | 180.0° | 179.4° |
C7 | C6 | C5 | H5 | 179.5° | 179.8° |
C6 | C7 | C10 | N11 | 144.3° | 148.9° |
C6 | C7 | C10 | C22 | 88.1° | 92.0° |
C6 | C7 | C10 | H10 | 23.5° | 28.2° |
C10 | C7 | C6 | C5 | 173.9° | 179.7° |
C10 | C7 | C6 | H6 | 6.1° | 0.3° |
C7 | C10 | N11 | C22 | 135.3° | 120.6° |
C7 | C10 | N11 | H10 | 109.6° | 120.7° |
C7 | C10 | C22 | H10 | 107.5° | 120.7° |
C7 | C10 | N11 | C12 | 71.2° | 125.9° |
C7 | C10 | N11 | C15 | 172.7° | 121.8° |
C7 | C10 | C22 | C16 | 168.4° | 137.3° |
C7 | C10 | C22 | C20 | 56.4° | 25.8° |
C7 | C10 | C22 | H22 | 64.4° | 100.1° |
H6 | C6 | C5 | H5 | 0.5° | 0.3° |
N11 | C10 | C22 | H10 | 122.1° | 119.3° |
C10 | N11 | C12 | C15 | 114.0° | 115.3° |
C10 | N11 | C12 | C13 | 105.3° | 152.1° |
C10 | N11 | C12 | H121 | 129.5° | 33.4° |
C10 | N11 | C12 | H122 | 20.0° | 89.4° |
C10 | N11 | C15 | C14 | 91.7° | 134.4° |
C10 | N11 | C15 | C16 | 21.8° | 15.7° |
C10 | N11 | C15 | H15 | 144.2° | 104.5° |
N11 | C10 | C22 | C16 | 38.0° | 17.2° |
N11 | C10 | C22 | C20 | 73.9° | 94.3° |
N11 | C10 | C22 | H22 | 165.2° | 139.8° |
C22 | C10 | N11 | C12 | 153.5° | 113.5° |
C22 | C10 | N11 | C15 | 37.4° | 1.2° |
C10 | C22 | C16 | C15 | 23.2° | 26.0° |
C10 | C22 | C16 | C17 | 141.6° | 139.4° |
C10 | C22 | C16 | C20 | 120.1° | 115.1° |
C10 | C22 | C16 | H22 | 120.2° | 122.1° |
C10 | C22 | C16 | H16 | 97.2° | 98.3° |
C10 | C22 | C20 | N19 | 121.2° | 126.2° |
C10 | C22 | C20 | O21 | 41.4° | 52.8° |
C10 | C22 | C20 | H22 | 121.5° | 125.9° |
H10 | C10 | N11 | C12 | 38.4° | 5.2° |
H10 | C10 | N11 | C15 | 77.7° | 117.5° |
H10 | C10 | C22 | C16 | 84.1° | 102.0° |
H10 | C10 | C22 | C20 | 163.9° | 146.5° |
H10 | C10 | C22 | H22 | 43.1° | 20.6° |
N11 | C12 | C13 | H121 | 125.3° | 118.8° |
N11 | C12 | C13 | H122 | 125.3° | 118.4° |
N11 | C12 | H121 | H122 | 119.4° | 122.6° |
N11 | C12 | C13 | C14 | 16.0° | 37.1° |
N11 | C12 | C13 | H131 | 109.3° | 155.4° |
N11 | C12 | C13 | H132 | 141.3° | 81.3° |
C12 | N11 | C15 | C14 | 29.4° | 22.0° |
C12 | N11 | C15 | C16 | 142.9° | 96.7° |
C12 | N11 | C15 | H15 | 94.7° | 143.1° |
C15 | N11 | C12 | C13 | 8.7° | 36.8° |
C15 | N11 | C12 | H121 | 116.5° | 81.9° |
C15 | N11 | C12 | H122 | 134.0° | 155.4° |
N11 | C15 | C14 | C13 | 38.8° | 1.4° |
N11 | C15 | C14 | C16 | 113.5° | 116.8° |
N11 | C15 | C14 | H15 | 124.1° | 121.0° |
N11 | C15 | C14 | H141 | 164.1° | 117.5° |
N11 | C15 | C14 | H142 | 86.5° | 120.2° |
N11 | C15 | C16 | H15 | 124.6° | 120.2° |
N11 | C15 | C16 | C17 | 113.6° | 134.2° |
N11 | C15 | C16 | C22 | 1.3° | 26.2° |
N11 | C15 | C16 | H16 | 124.5° | 98.3° |
C13 | C12 | H121 | H122 | 119.3° | 122.8° |
C12 | C13 | C14 | H131 | 125.3° | 118.3° |
C12 | C13 | C14 | H132 | 125.3° | 118.4° |
C12 | C13 | H131 | H132 | 119.5° | 123.3° |
C12 | C13 | C14 | C15 | 33.7° | 23.4° |
C12 | C13 | C14 | H141 | 159.0° | 95.5° |
C12 | C13 | C14 | H142 | 91.6° | 142.3° |
H121 | C12 | C13 | C14 | 141.3° | 81.7° |
H121 | C12 | C13 | H131 | 16.0° | 36.6° |
H121 | C12 | C13 | H132 | 93.4° | 159.9° |
H122 | C12 | C13 | C14 | 109.3° | 155.5° |
H122 | C12 | C13 | H131 | 125.4° | 86.2° |
H122 | C12 | C13 | H132 | 16.0° | 37.0° |
C14 | C13 | H131 | H132 | 119.5° | 123.2° |
C13 | C14 | C15 | H141 | 125.3° | 118.9° |
C13 | C14 | C15 | H142 | 125.3° | 118.8° |
C13 | C14 | H141 | H142 | 120.7° | 122.2° |
C13 | C14 | C15 | C16 | 152.3° | 118.2° |
C13 | C14 | C15 | H15 | 85.3° | 119.7° |
H131 | C13 | C14 | C15 | 91.7° | 141.8° |
H131 | C13 | C14 | H141 | 33.6° | 22.9° |
H131 | C13 | C14 | H142 | 143.0° | 99.4° |
H132 | C13 | C14 | C15 | 158.9° | 95.0° |
H132 | C13 | C14 | H141 | 75.8° | 146.1° |
H132 | C13 | C14 | H142 | 33.6° | 23.8° |
C15 | C14 | H141 | H142 | 120.7° | 122.2° |
C14 | C15 | C16 | H15 | 124.6° | 122.1° |
C14 | C15 | C16 | C17 | 135.6° | 108.1° |
C14 | C15 | C16 | C22 | 112.0° | 143.8° |
C14 | C15 | C16 | H16 | 13.7° | 19.4° |
H141 | C14 | C15 | C16 | 82.4° | 0.7° |
H141 | C14 | C15 | H15 | 40.0° | 121.5° |
H142 | C14 | C15 | C16 | 27.0° | 123.0° |
H142 | C14 | C15 | H15 | 149.4° | 0.8° |
C15 | C16 | C17 | C22 | 113.3° | 110.0° |
C15 | C16 | C17 | H16 | 121.1° | 127.5° |
C15 | C16 | C22 | H16 | 120.4° | 124.3° |
C15 | C16 | C17 | N19 | 87.6° | 84.8° |
C15 | C16 | C17 | C18 | 148.1° | 156.1° |
C15 | C16 | C17 | H17 | 33.4° | 34.3° |
C15 | C16 | C22 | C20 | 96.9° | 89.1° |
C15 | C16 | C22 | H22 | 143.3° | 148.1° |
H15 | C15 | C16 | C17 | 11.0° | 14.0° |
H15 | C15 | C16 | C22 | 123.4° | 94.0° |
H15 | C15 | C16 | H16 | 110.9° | 141.5° |
C17 | C16 | C22 | H16 | 121.1° | 122.3° |
C16 | C17 | N19 | C18 | 124.1° | 119.1° |
C16 | C17 | N19 | H17 | 121.2° | 119.1° |
C16 | C17 | C18 | H17 | 120.8° | 121.9° |
C16 | C17 | N19 | C20 | 21.2° | 17.4° |
C16 | C17 | N19 | C23 | 167.6° | 163.1° |
C17 | C16 | C22 | C20 | 21.5° | 24.4° |
C17 | C16 | C22 | H22 | 98.2° | 98.5° |
C16 | C17 | C18 | C42 | 78.1° | 174.2° |
C16 | C17 | C18 | H181 | 47.2° | 65.9° |
C16 | C17 | C18 | H182 | 156.7° | 54.2° |
C22 | C16 | C17 | N19 | 25.7° | 25.2° |
C22 | C16 | C17 | C18 | 98.7° | 93.9° |
C22 | C16 | C17 | H17 | 146.7° | 144.3° |
C16 | C22 | C20 | N19 | 10.0° | 15.4° |
C16 | C22 | C20 | O21 | 152.6° | 163.5° |
C16 | C22 | C20 | H22 | 127.3° | 123.4° |
H16 | C16 | C17 | N19 | 151.3° | 147.7° |
H16 | C16 | C17 | C18 | 27.0° | 28.6° |
H16 | C16 | C17 | H17 | 87.7° | 93.2° |
H16 | C16 | C22 | C20 | 142.7° | 146.6° |
H16 | C16 | C22 | H22 | 22.9° | 23.8° |
N19 | C17 | C18 | H17 | 120.5° | 121.8° |
C17 | N19 | C20 | C23 | 172.7° | 179.5° |
C17 | N19 | C20 | O21 | 170.2° | 179.9° |
C17 | N19 | C20 | C22 | 7.3° | 1.1° |
C17 | N19 | C23 | C24 | 82.3° | 96.1° |
C17 | N19 | C23 | H231 | 152.4° | 143.9° |
C17 | N19 | C23 | H232 | 43.0° | 23.9° |
N19 | C17 | C18 | C42 | 163.2° | 69.5° |
N19 | C17 | C18 | H181 | 71.5° | 50.4° |
N19 | C17 | C18 | H182 | 38.0° | 170.6° |
C18 | C17 | N19 | C20 | 102.9° | 101.7° |
C18 | C17 | N19 | C23 | 68.3° | 77.8° |
C17 | C18 | C42 | H181 | 125.2° | 120.0° |
C17 | C18 | C42 | H182 | 125.2° | 120.0° |
C17 | C18 | H181 | H182 | 116.5° | 120.1° |
C17 | C18 | C42 | H421 | 180.0° | 172.0° |
C17 | C18 | C42 | H422 | 54.7° | 68.0° |
C17 | C18 | C42 | H423 | 54.7° | 52.0° |
H17 | C17 | N19 | C20 | 142.4° | 136.5° |
H17 | C17 | N19 | C23 | 46.3° | 44.0° |
H17 | C17 | C18 | C42 | 42.7° | 52.3° |
H17 | C17 | C18 | H181 | 168.0° | 172.2° |
H17 | C17 | C18 | H182 | 82.5° | 67.7° |
N19 | C20 | O21 | C22 | 160.0° | 178.8° |
N19 | C20 | C22 | H22 | 117.3° | 107.9° |
C20 | N19 | C23 | C24 | 88.8° | 84.5° |
C20 | N19 | C23 | H231 | 36.4° | 35.5° |
C20 | N19 | C23 | H232 | 145.9° | 155.5° |
C23 | N19 | C20 | O21 | 17.1° | 0.5° |
C23 | N19 | C20 | C22 | 180.0° | 179.4° |
N19 | C23 | C24 | H231 | 125.2° | 120.0° |
N19 | C23 | C24 | H232 | 125.2° | 120.0° |
N19 | C23 | H231 | H232 | 115.8° | 120.0° |
N19 | C23 | C24 | C32 | 78.3° | 90.0° |
N19 | C23 | C24 | C25 | 107.8° | 90.2° |
O21 | C20 | C22 | H22 | 80.1° | 73.1° |
C24 | C23 | H231 | H232 | 115.9° | 120.0° |
C23 | C24 | C32 | C25 | 173.7° | 179.8° |
C23 | C24 | C32 | C31 | 173.8° | 180.0° |
C23 | C24 | C32 | H32 | 6.3° | 0.0° |
C23 | C24 | C25 | C26 | 173.8° | 179.8° |
C23 | C24 | C25 | H25 | 6.2° | 0.0° |
H231 | C23 | C24 | C32 | 156.4° | 150.1° |
H231 | C23 | C24 | C25 | 17.4° | 29.7° |
H232 | C23 | C24 | C32 | 46.9° | 30.0° |
H232 | C23 | C24 | C25 | 126.9° | 149.7° |
C24 | C32 | C31 | H32 | 180.0° | 180.0° |
C24 | C32 | C31 | C30 | 0.2° | 0.0° |
C24 | C32 | C31 | H31 | 179.8° | 180.0° |
C32 | C24 | C25 | C26 | 0.0° | 0.4° |
C32 | C24 | C25 | H25 | 180.0° | 179.7° |
C25 | C24 | C32 | C31 | 0.1° | 0.2° |
C25 | C24 | C32 | H32 | 180.0° | 179.8° |
C24 | C25 | C26 | C30 | 0.3° | 0.5° |
C24 | C25 | C26 | O27 | 160.0° | 179.8° |
C24 | C25 | C26 | H25 | 180.0° | 179.8° |
C32 | C31 | C30 | H31 | 180.0° | 180.0° |
C32 | C31 | C30 | O29 | 162.0° | 180.0° |
C32 | C31 | C30 | C26 | 0.4° | 0.0° |
H32 | C32 | C31 | C30 | 179.8° | 180.0° |
H32 | C32 | C31 | H31 | 0.2° | 0.0° |
C31 | C30 | O29 | C26 | 164.6° | 180.0° |
C31 | C30 | O29 | C28 | 173.2° | 162.7° |
C31 | C30 | C26 | O27 | 163.0° | 180.0° |
C31 | C30 | C26 | C25 | 0.5° | 0.2° |
H31 | C31 | C30 | O29 | 18.0° | 0.0° |
H31 | C31 | C30 | C26 | 179.5° | 180.0° |
C30 | O29 | C28 | O27 | 6.8° | 27.1° |
C30 | O29 | C28 | H281 | 118.4° | 145.7° |
C30 | O29 | C28 | H282 | 132.1° | 91.4° |
O29 | C30 | C26 | O27 | 31.4° | 0.0° |
O29 | C30 | C26 | C25 | 165.1° | 179.8° |
C26 | C30 | O29 | C28 | 22.2° | 17.3° |
C30 | C26 | O27 | C28 | 25.1° | 17.2° |
C30 | C26 | O27 | C25 | 162.2° | 179.8° |
C30 | C26 | C25 | H25 | 179.7° | 179.7° |
O29 | C28 | O27 | H281 | 125.2° | 118.6° |
O29 | C28 | O27 | H282 | 125.2° | 118.5° |
O29 | C28 | H281 | H282 | 118.1° | 122.9° |
O29 | C28 | O27 | C26 | 11.0° | 27.1° |
O27 | C28 | H281 | H282 | 118.2° | 122.8° |
C28 | O27 | C26 | C25 | 172.7° | 163.0° |
H281 | C28 | O27 | C26 | 136.3° | 145.7° |
H282 | C28 | O27 | C26 | 114.2° | 91.5° |
O27 | C26 | C25 | H25 | 20.0° | 0.0° |
C42 | C18 | H181 | H182 | 116.6° | 120.0° |
C18 | C42 | H421 | H422 | 125.3° | 120.0° |
C18 | C42 | H421 | H423 | 125.3° | 120.0° |
C18 | C42 | H422 | H423 | 116.5° | 120.0° |
H181 | C18 | C42 | H421 | 54.8° | 68.0° |
H181 | C18 | C42 | H422 | 179.9° | 52.0° |
H181 | C18 | C42 | H423 | 70.5° | 172.0° |
H182 | C18 | C42 | H421 | 54.8° | 52.0° |
H182 | C18 | C42 | H422 | 70.5° | 172.1° |
H182 | C18 | C42 | H423 | 179.9° | 68.0° |
H421 | C42 | H422 | H423 | 116.5° | 120.0° |