UIR
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C3 | sing | 1.30Å | 1.33Å | |
N1 | HN11 | sing | 6.36Å | 1.02Å | |
N1 | HN12 | sing | 0.97Å | 1.02Å | |
C3 | C4 | sing | 1.48Å | 1.44Å | |
C3 | N2 | doub | 1.38Å | 1.39Å | |
C4 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
C4 | C5 | sing | 1.39Å | 1.42Å | Aromatic |
C9 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
C9 | H9 | sing | 1.08Å | 1.10Å | |
C8 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
C7 | C10 | sing | 1.51Å | 1.52Å | |
C7 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
C10 | N11 | sing | 1.47Å | 1.51Å | |
C10 | C22 | sing | 1.53Å | 1.54Å | |
C10 | H10 | sing | 1.09Å | 1.12Å | |
N11 | C12 | sing | 1.54Å | 1.50Å | |
N11 | C15 | sing | 1.47Å | 1.52Å | |
C12 | C13 | sing | 1.55Å | 1.54Å | |
C12 | H121 | sing | 1.09Å | 1.12Å | |
C12 | H122 | sing | 1.09Å | 1.11Å | |
C13 | C14 | sing | 1.55Å | 1.51Å | |
C13 | H131 | sing | 1.09Å | 1.12Å | |
C13 | H132 | sing | 1.09Å | 1.11Å | |
C14 | C15 | sing | 1.54Å | 1.54Å | |
C14 | H141 | sing | 1.09Å | 1.12Å | |
C14 | H142 | sing | 1.09Å | 1.12Å | |
C15 | C16 | sing | 1.54Å | 1.57Å | |
C15 | H15 | sing | 1.09Å | 1.11Å | |
C16 | C17 | sing | 1.54Å | 1.58Å | |
C16 | C22 | sing | 1.56Å | 1.57Å | |
C16 | H16 | sing | 1.09Å | 1.12Å | |
C18 | C17 | sing | 1.53Å | 1.52Å | |
C18 | C42 | sing | 1.53Å | 1.53Å | |
C18 | C41 | sing | 1.53Å | 1.55Å | |
C18 | H18 | sing | 1.09Å | 1.12Å | |
C17 | N19 | sing | 1.47Å | 1.44Å | |
C17 | H17 | sing | 1.09Å | 1.12Å | |
C42 | C41 | sing | 1.53Å | 1.55Å | |
C42 | H421 | sing | 1.09Å | 1.11Å | |
C42 | H422 | sing | 1.09Å | 1.12Å | |
C41 | H411 | sing | 1.09Å | 1.12Å | |
C41 | H412 | sing | 1.09Å | 1.12Å | |
N19 | C20 | sing | 1.36Å | 1.38Å | |
N19 | C23 | sing | 1.46Å | 1.53Å | |
C20 | O21 | doub | 1.21Å | 1.28Å | |
C20 | C22 | sing | 1.51Å | 1.54Å | |
C22 | H22 | sing | 1.09Å | 1.12Å | |
C23 | C24 | sing | 1.51Å | 1.53Å | |
C23 | H231 | sing | 1.09Å | 1.12Å | |
C23 | H232 | sing | 1.09Å | 1.12Å | |
C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
C24 | C32 | sing | 1.38Å | 1.43Å | Aromatic |
C25 | C26 | sing | 1.39Å | 1.46Å | Aromatic |
C25 | H25 | sing | 1.08Å | 1.10Å | |
C26 | O27 | sing | 1.36Å | 1.41Å | |
C26 | C30 | doub | 1.39Å | 1.42Å | Aromatic |
O27 | C28 | sing | 1.44Å | 1.47Å | |
C28 | O29 | sing | 1.44Å | 1.47Å | |
C28 | H281 | sing | 1.09Å | 1.11Å | |
C28 | H282 | sing | 1.09Å | 1.11Å | |
O29 | C30 | sing | 1.37Å | 1.38Å | |
C30 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
C31 | C32 | doub | 1.38Å | 1.42Å | Aromatic |
C31 | H31 | sing | 1.08Å | 1.10Å | |
C32 | H32 | sing | 1.08Å | 1.10Å | |
C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
C6 | H6 | sing | 1.08Å | 1.10Å | |
C5 | H5 | sing | 1.08Å | 1.10Å | |
N2 | HN2 | sing | 0.97Å | 1.02Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C3 | N1 | HN11 | 107.3° | 28.7° |
C3 | N1 | HN12 | 123.3° | 120.0° |
N1 | C3 | C4 | 123.3° | 120.0° |
N1 | C3 | N2 | 112.9° | 120.0° |
HN11 | N1 | HN12 | 107.3° | 92.6° |
C4 | C3 | N2 | 123.4° | 120.0° |
C3 | C4 | C9 | 121.8° | 120.1° |
C3 | C4 | C5 | 120.3° | 120.1° |
C3 | N2 | HN2 | 113.9° | 120.0° |
C9 | C4 | C5 | 117.9° | 119.8° |
C4 | C9 | C8 | 120.9° | 119.8° |
C4 | C9 | H9 | 119.3° | 120.1° |
C4 | C5 | C6 | 122.1° | 119.9° |
C4 | C5 | H5 | 119.7° | 120.1° |
C8 | C9 | H9 | 119.8° | 120.0° |
C9 | C8 | C7 | 120.0° | 120.2° |
C9 | C8 | H8 | 120.3° | 119.9° |
C7 | C8 | H8 | 119.7° | 119.9° |
C8 | C7 | C10 | 122.6° | 119.9° |
C8 | C7 | C6 | 120.1° | 120.3° |
C10 | C7 | C6 | 117.2° | 119.9° |
C7 | C10 | N11 | 106.6° | 109.7° |
C7 | C10 | C22 | 120.4° | 109.7° |
C7 | C10 | H10 | 102.4° | 109.7° |
C7 | C6 | C5 | 119.0° | 120.1° |
C7 | C6 | H6 | 121.1° | 120.0° |
N11 | C10 | C22 | 103.8° | 108.1° |
N11 | C10 | H10 | 119.5° | 109.7° |
C10 | N11 | C12 | 111.3° | 104.8° |
C10 | N11 | C15 | 101.9° | 109.2° |
C22 | C10 | H10 | 105.2° | 109.8° |
C10 | C22 | C16 | 99.7° | 104.4° |
C10 | C22 | C20 | 113.5° | 109.8° |
C10 | C22 | H22 | 111.3° | 112.4° |
C12 | N11 | C15 | 109.0° | 103.9° |
N11 | C12 | C13 | 105.1° | 103.5° |
N11 | C12 | H121 | 113.9° | 111.3° |
N11 | C12 | H122 | 113.9° | 110.2° |
N11 | C15 | C14 | 105.3° | 109.3° |
N11 | C15 | C16 | 107.5° | 107.5° |
N11 | C15 | H15 | 113.1° | 109.2° |
C13 | C12 | H121 | 113.9° | 110.6° |
C13 | C12 | H122 | 113.8° | 110.6° |
C12 | C13 | C14 | 109.1° | 102.9° |
C12 | C13 | H131 | 112.4° | 110.7° |
C12 | C13 | H132 | 112.4° | 110.8° |
H121 | C12 | H122 | 96.6° | 110.6° |
C14 | C13 | H131 | 112.3° | 110.7° |
C14 | C13 | H132 | 112.3° | 110.7° |
C13 | C14 | C15 | 105.6° | 105.0° |
C13 | C14 | H141 | 113.6° | 110.3° |
C13 | C14 | H142 | 113.7° | 110.4° |
H131 | C13 | H132 | 98.1° | 110.8° |
C15 | C14 | H141 | 113.7° | 110.3° |
C15 | C14 | H142 | 113.7° | 110.3° |
C14 | C15 | C16 | 108.6° | 110.0° |
C14 | C15 | H15 | 112.1° | 110.5° |
H141 | C14 | H142 | 96.8° | 110.4° |
C16 | C15 | H15 | 110.0° | 110.4° |
C15 | C16 | C17 | 108.9° | 109.8° |
C15 | C16 | C22 | 103.5° | 103.7° |
C15 | C16 | H16 | 111.4° | 113.4° |
C17 | C16 | C22 | 101.8° | 101.6° |
C17 | C16 | H16 | 112.9° | 113.5° |
C16 | C17 | C18 | 120.0° | 110.2° |
C16 | C17 | N19 | 104.2° | 105.6° |
C16 | C17 | H17 | 106.8° | 110.3° |
C22 | C16 | H16 | 117.6° | 113.7° |
C16 | C22 | C20 | 102.8° | 104.6° |
C16 | C22 | H22 | 120.8° | 112.7° |
C17 | C18 | C42 | 114.9° | 117.5° |
C17 | C18 | C41 | 113.9° | 117.5° |
C17 | C18 | H18 | 96.6° | 115.6° |
C18 | C17 | N19 | 111.7° | 110.2° |
C18 | C17 | H17 | 98.6° | 110.2° |
C42 | C18 | C41 | 60.4° | 60.0° |
C42 | C18 | H18 | 134.6° | 117.5° |
C18 | C42 | C41 | 60.3° | 60.0° |
C18 | C42 | H421 | 134.8° | 117.5° |
C18 | C42 | H422 | 134.8° | 117.5° |
C41 | C18 | H18 | 135.4° | 117.5° |
C18 | C41 | C42 | 59.3° | 60.0° |
C18 | C41 | H411 | 135.4° | 117.5° |
C18 | C41 | H412 | 135.4° | 117.5° |
N19 | C17 | H17 | 116.0° | 110.2° |
C17 | N19 | C20 | 113.1° | 111.5° |
C17 | N19 | C23 | 132.1° | 124.4° |
C41 | C42 | H421 | 134.8° | 117.5° |
C41 | C42 | H422 | 134.8° | 117.5° |
C42 | C41 | H411 | 135.4° | 117.5° |
C42 | C41 | H412 | 135.4° | 117.5° |
H421 | C42 | H422 | 70.8° | 115.5° |
H411 | C41 | H412 | 69.9° | 115.6° |
C20 | N19 | C23 | 114.7° | 124.1° |
N19 | C20 | O21 | 124.0° | 124.9° |
N19 | C20 | C22 | 108.5° | 109.7° |
N19 | C23 | C24 | 112.7° | 109.5° |
N19 | C23 | H231 | 111.0° | 109.5° |
N19 | C23 | H232 | 111.0° | 109.5° |
O21 | C20 | C22 | 127.2° | 125.4° |
C20 | C22 | H22 | 108.5° | 112.4° |
C24 | C23 | H231 | 111.0° | 109.5° |
C24 | C23 | H232 | 111.0° | 109.4° |
C23 | C24 | C25 | 119.5° | 120.0° |
C23 | C24 | C32 | 121.0° | 119.9° |
H231 | C23 | H232 | 99.3° | 109.5° |
C25 | C24 | C32 | 119.4° | 120.1° |
C24 | C25 | C26 | 118.1° | 120.1° |
C24 | C25 | H25 | 119.1° | 120.0° |
C24 | C32 | C31 | 122.4° | 120.1° |
C24 | C32 | H32 | 119.3° | 119.9° |
C26 | C25 | H25 | 122.8° | 120.0° |
C25 | C26 | O27 | 125.7° | 131.6° |
C25 | C26 | C30 | 120.8° | 119.8° |
O27 | C26 | C30 | 106.3° | 108.6° |
C26 | O27 | C28 | 100.2° | 105.5° |
C26 | C30 | O29 | 107.3° | 108.6° |
C26 | C30 | C31 | 121.0° | 119.8° |
O27 | C28 | O29 | 107.8° | 103.8° |
O27 | C28 | H281 | 112.9° | 110.6° |
O27 | C28 | H282 | 112.8° | 110.6° |
O29 | C28 | H281 | 112.8° | 110.6° |
O29 | C28 | H282 | 112.9° | 110.5° |
C28 | O29 | C30 | 104.3° | 105.5° |
H281 | C28 | H282 | 97.6° | 110.6° |
O29 | C30 | C31 | 131.2° | 131.6° |
C30 | C31 | C32 | 118.2° | 120.0° |
C30 | C31 | H31 | 120.0° | 119.9° |
C32 | C31 | H31 | 121.7° | 120.0° |
C31 | C32 | H32 | 118.2° | 120.0° |
C5 | C6 | H6 | 119.9° | 120.0° |
C6 | C5 | H5 | 118.2° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C3 | N1 | HN11 | HN12 | 134.4° | 163.5° |
N1 | C3 | C4 | N2 | 172.1° | 179.9° |
N1 | C3 | C4 | C9 | 12.2° | 0.1° |
N1 | C3 | C4 | C5 | 167.9° | 179.8° |
N1 | C3 | N2 | HN2 | 162.8° | 179.7° |
HN11 | N1 | C3 | C4 | 54.7° | 19.2° |
HN11 | N1 | C3 | N2 | 118.1° | 160.9° |
HN12 | N1 | C3 | C4 | 180.0° | 0.0° |
HN12 | N1 | C3 | N2 | 7.2° | 179.9° |
C3 | C4 | C9 | C5 | 179.9° | 179.7° |
C3 | C4 | C9 | C8 | 179.1° | 180.0° |
C3 | C4 | C9 | H9 | 0.9° | 0.1° |
C3 | C4 | C5 | C6 | 179.4° | 179.7° |
C3 | C4 | C5 | H5 | 0.6° | 0.3° |
C4 | C3 | N2 | HN2 | 10.1° | 0.2° |
N2 | C3 | C4 | C9 | 159.9° | 180.0° |
N2 | C3 | C4 | C5 | 20.0° | 0.3° |
C4 | C9 | C8 | H9 | 180.0° | 179.9° |
C4 | C9 | C8 | C7 | 0.2° | 0.0° |
C4 | C9 | C8 | H8 | 179.7° | 180.0° |
C9 | C4 | C5 | C6 | 0.5° | 0.6° |
C9 | C4 | C5 | H5 | 179.5° | 180.0° |
C5 | C4 | C9 | C8 | 0.8° | 0.3° |
C5 | C4 | C9 | H9 | 179.3° | 179.8° |
C4 | C5 | C6 | C7 | 0.4° | 0.6° |
C4 | C5 | C6 | H5 | 180.0° | 179.4° |
C4 | C5 | C6 | H6 | 179.6° | 179.6° |
C9 | C8 | C7 | H8 | 180.0° | 180.0° |
C9 | C8 | C7 | C10 | 176.3° | 180.0° |
C9 | C8 | C7 | C6 | 0.6° | 0.0° |
H9 | C9 | C8 | C7 | 179.8° | 179.9° |
H9 | C9 | C8 | H8 | 0.2° | 0.1° |
C8 | C7 | C10 | C6 | 177.0° | 180.0° |
C8 | C7 | C10 | N11 | 35.1° | 141.4° |
C8 | C7 | C10 | C22 | 82.5° | 100.0° |
C8 | C7 | C10 | H10 | 161.3° | 20.8° |
C8 | C7 | C6 | C5 | 0.9° | 0.3° |
C8 | C7 | C6 | H6 | 179.1° | 179.9° |
H8 | C8 | C7 | C10 | 3.7° | 0.0° |
H8 | C8 | C7 | C6 | 179.4° | 180.0° |
C7 | C10 | N11 | C22 | 128.1° | 119.7° |
C7 | C10 | N11 | H10 | 115.2° | 120.6° |
C7 | C10 | C22 | H10 | 114.7° | 120.7° |
C7 | C10 | N11 | C12 | 71.3° | 127.8° |
C7 | C10 | N11 | C15 | 172.7° | 121.4° |
C7 | C10 | C22 | C16 | 167.3° | 137.1° |
C7 | C10 | C22 | C20 | 58.6° | 25.5° |
C7 | C10 | C22 | H22 | 64.2° | 100.5° |
C10 | C7 | C6 | C5 | 176.2° | 179.7° |
C10 | C7 | C6 | H6 | 3.8° | 0.1° |
C6 | C7 | C10 | N11 | 148.0° | 38.6° |
C6 | C7 | C10 | C22 | 94.5° | 80.0° |
C6 | C7 | C10 | H10 | 21.7° | 159.3° |
C7 | C6 | C5 | H6 | 180.0° | 179.8° |
C7 | C6 | C5 | H5 | 179.6° | 180.0° |
N11 | C10 | C22 | H10 | 126.3° | 119.7° |
C10 | N11 | C12 | C15 | 111.5° | 114.5° |
C10 | N11 | C12 | C13 | 94.9° | 152.2° |
C10 | N11 | C12 | H121 | 30.3° | 33.5° |
C10 | N11 | C12 | H122 | 139.8° | 89.5° |
C10 | N11 | C15 | C14 | 92.9° | 134.5° |
C10 | N11 | C15 | C16 | 22.8° | 15.2° |
C10 | N11 | C15 | H15 | 144.4° | 104.6° |
N11 | C10 | C22 | C16 | 48.3° | 17.4° |
N11 | C10 | C22 | C20 | 60.4° | 94.2° |
N11 | C10 | C22 | H22 | 176.8° | 139.9° |
C22 | C10 | N11 | C12 | 160.6° | 112.5° |
C22 | C10 | N11 | C15 | 44.6° | 1.7° |
C10 | C22 | C16 | C15 | 32.3° | 25.7° |
C10 | C22 | C16 | C17 | 145.2° | 139.7° |
C10 | C22 | C16 | C20 | 117.0° | 115.4° |
C10 | C22 | C16 | H22 | 122.0° | 122.3° |
C10 | C22 | C16 | H16 | 91.0° | 98.0° |
C10 | C22 | C20 | N19 | 124.7° | 126.9° |
C10 | C22 | C20 | O21 | 48.8° | 52.4° |
C10 | C22 | C20 | H22 | 124.3° | 126.0° |
H10 | C10 | N11 | C12 | 43.9° | 7.2° |
H10 | C10 | N11 | C15 | 72.1° | 118.0° |
H10 | C10 | C22 | C16 | 78.0° | 102.2° |
H10 | C10 | C22 | C20 | 173.3° | 146.1° |
H10 | C10 | C22 | H22 | 50.5° | 20.2° |
N11 | C12 | C13 | H121 | 125.3° | 119.2° |
N11 | C12 | C13 | H122 | 125.3° | 117.9° |
N11 | C12 | H121 | H122 | 119.8° | 122.8° |
N11 | C12 | C13 | C14 | 2.0° | 37.5° |
N11 | C12 | C13 | H131 | 123.3° | 155.8° |
N11 | C12 | C13 | H132 | 127.2° | 80.8° |
C12 | N11 | C15 | C14 | 24.8° | 23.2° |
C12 | N11 | C15 | C16 | 140.5° | 96.1° |
C12 | N11 | C15 | H15 | 97.9° | 144.1° |
C15 | N11 | C12 | C13 | 16.6° | 37.7° |
C15 | N11 | C12 | H121 | 141.9° | 81.0° |
C15 | N11 | C12 | H122 | 108.6° | 155.9° |
N11 | C15 | C14 | C13 | 22.6° | 0.3° |
N11 | C15 | C14 | C16 | 115.0° | 117.8° |
N11 | C15 | C14 | H15 | 123.3° | 120.1° |
N11 | C15 | C14 | H141 | 102.7° | 118.6° |
N11 | C15 | C14 | H142 | 147.9° | 119.2° |
N11 | C15 | C16 | H15 | 123.5° | 119.0° |
N11 | C15 | C16 | C17 | 114.1° | 133.5° |
N11 | C15 | C16 | C22 | 6.4° | 25.5° |
N11 | C15 | C16 | H16 | 120.8° | 98.4° |
C13 | C12 | H121 | H122 | 119.7° | 122.9° |
C12 | C13 | C14 | H131 | 125.3° | 118.3° |
C12 | C13 | C14 | H132 | 125.2° | 118.4° |
C12 | C13 | H131 | H132 | 118.3° | 123.3° |
C12 | C13 | C14 | C15 | 12.9° | 23.4° |
C12 | C13 | C14 | H141 | 112.4° | 95.5° |
C12 | C13 | C14 | H142 | 138.2° | 142.3° |
H121 | C12 | C13 | C14 | 127.3° | 81.7° |
H121 | C12 | C13 | H131 | 2.0° | 36.6° |
H121 | C12 | C13 | H132 | 107.5° | 160.0° |
H122 | C12 | C13 | C14 | 123.3° | 155.4° |
H122 | C12 | C13 | H131 | 111.5° | 86.3° |
H122 | C12 | C13 | H132 | 2.0° | 37.1° |
C14 | C13 | H131 | H132 | 118.3° | 123.2° |
C13 | C14 | C15 | H141 | 125.3° | 118.9° |
C13 | C14 | C15 | H142 | 125.3° | 118.9° |
C13 | C14 | H141 | H142 | 119.6° | 122.2° |
C13 | C14 | C15 | C16 | 137.6° | 118.0° |
C13 | C14 | C15 | H15 | 100.7° | 119.8° |
H131 | C13 | C14 | C15 | 138.2° | 141.7° |
H131 | C13 | C14 | H141 | 12.9° | 22.8° |
H131 | C13 | C14 | H142 | 96.6° | 99.4° |
H132 | C13 | C14 | C15 | 112.4° | 95.0° |
H132 | C13 | C14 | H141 | 122.4° | 146.1° |
H132 | C13 | C14 | H142 | 12.9° | 23.9° |
C15 | C14 | H141 | H142 | 119.6° | 122.2° |
C14 | C15 | C16 | H15 | 123.0° | 122.1° |
C14 | C15 | C16 | C17 | 132.4° | 107.7° |
C14 | C15 | C16 | C22 | 119.9° | 144.3° |
C14 | C15 | C16 | H16 | 7.3° | 20.4° |
H141 | C14 | C15 | C16 | 12.3° | 0.9° |
H141 | C14 | C15 | H15 | 134.0° | 121.2° |
H142 | C14 | C15 | C16 | 97.2° | 123.1° |
H142 | C14 | C15 | H15 | 24.5° | 0.9° |
C15 | C16 | C17 | C22 | 108.9° | 109.4° |
C15 | C16 | C17 | H16 | 124.2° | 128.1° |
C15 | C16 | C22 | H16 | 123.2° | 123.7° |
C15 | C16 | C17 | C18 | 154.9° | 156.8° |
C15 | C16 | C17 | N19 | 79.3° | 84.1° |
C15 | C16 | C17 | H17 | 44.1° | 34.9° |
C15 | C16 | C22 | C20 | 84.8° | 89.7° |
C15 | C16 | C22 | H22 | 154.3° | 148.0° |
H15 | C15 | C16 | C17 | 9.4° | 14.5° |
H15 | C15 | C16 | C22 | 117.1° | 93.5° |
H15 | C15 | C16 | H16 | 115.7° | 142.6° |
C17 | C16 | C22 | H16 | 123.8° | 122.3° |
C16 | C17 | C18 | N19 | 122.3° | 116.2° |
C16 | C17 | C18 | H17 | 115.2° | 121.9° |
C16 | C17 | C18 | C42 | 147.6° | 174.3° |
C16 | C17 | C18 | C41 | 80.5° | 105.6° |
C16 | C17 | C18 | H18 | 66.1° | 40.0° |
C16 | C17 | N19 | H17 | 117.1° | 119.1° |
C16 | C17 | N19 | C20 | 20.2° | 17.5° |
C16 | C17 | N19 | C23 | 157.5° | 162.9° |
C17 | C16 | C22 | C20 | 28.2° | 24.3° |
C17 | C16 | C22 | H22 | 92.8° | 98.0° |
C22 | C16 | C17 | C18 | 96.3° | 93.8° |
C22 | C16 | C17 | N19 | 29.6° | 25.3° |
C22 | C16 | C17 | H17 | 152.9° | 144.3° |
C16 | C22 | C20 | N19 | 17.9° | 15.4° |
C16 | C22 | C20 | O21 | 155.5° | 163.9° |
C16 | C22 | C20 | H22 | 129.0° | 122.5° |
H16 | C16 | C17 | C18 | 30.7° | 28.7° |
H16 | C16 | C17 | N19 | 156.5° | 147.8° |
H16 | C16 | C17 | H17 | 80.1° | 93.2° |
H16 | C16 | C22 | C20 | 152.0° | 146.6° |
H16 | C16 | C22 | H22 | 31.0° | 24.3° |
C17 | C18 | C42 | C41 | 104.4° | 107.4° |
C17 | C18 | C42 | H18 | 129.4° | 145.0° |
C17 | C18 | C41 | H18 | 128.9° | 145.0° |
C18 | C17 | N19 | H17 | 111.9° | 121.9° |
C17 | C18 | C42 | H421 | 20.8° | 145.0° |
C17 | C18 | C42 | H422 | 130.3° | 0.1° |
C17 | C18 | C41 | H411 | 128.6° | 0.0° |
C17 | C18 | C41 | H412 | 19.2° | 145.0° |
C18 | C17 | N19 | C20 | 110.8° | 101.6° |
C18 | C17 | N19 | C23 | 71.6° | 78.0° |
C42 | C18 | C41 | H18 | 125.0° | 107.5° |
C42 | C18 | C17 | N19 | 90.1° | 69.5° |
C42 | C18 | C17 | H17 | 32.4° | 52.3° |
C18 | C42 | C41 | H421 | 125.3° | 107.5° |
C18 | C42 | C41 | H422 | 125.3° | 107.5° |
C18 | C42 | H421 | H422 | 135.0° | 145.6° |
C42 | C18 | C41 | H411 | 125.3° | 107.5° |
C42 | C18 | C41 | H412 | 125.3° | 107.5° |
C41 | C18 | C17 | N19 | 157.1° | 138.1° |
C41 | C18 | C17 | H17 | 34.6° | 16.3° |
C18 | C41 | H411 | H412 | 135.2° | 145.7° |
H18 | C18 | C17 | N19 | 56.2° | 76.2° |
H18 | C18 | C17 | H17 | 178.7° | 162.0° |
H18 | C18 | C42 | H421 | 108.5° | 0.0° |
H18 | C18 | C42 | H422 | 1.0° | 144.9° |
H18 | C18 | C41 | H411 | 0.3° | 145.0° |
H18 | C18 | C41 | H412 | 109.7° | 0.0° |
C17 | N19 | C20 | C23 | 178.1° | 179.6° |
C17 | N19 | C20 | O21 | 175.1° | 179.5° |
C17 | N19 | C20 | C22 | 1.5° | 1.2° |
C17 | N19 | C23 | C24 | 111.9° | 84.5° |
C17 | N19 | C23 | H231 | 13.3° | 35.5° |
C17 | N19 | C23 | H232 | 122.8° | 155.5° |
H17 | C17 | N19 | C20 | 137.3° | 136.6° |
H17 | C17 | N19 | C23 | 40.4° | 43.9° |
C41 | C42 | H421 | H422 | 134.9° | 145.8° |
C42 | C41 | H411 | H412 | 135.2° | 145.7° |
H421 | C42 | C41 | H411 | 109.5° | 145.0° |
H421 | C42 | C41 | H412 | 0.0° | 0.0° |
H422 | C42 | C41 | H411 | 0.0° | 0.1° |
H422 | C42 | C41 | H412 | 109.4° | 145.1° |
N19 | C20 | O21 | C22 | 172.5° | 179.2° |
N19 | C20 | C22 | H22 | 111.1° | 107.1° |
C20 | N19 | C23 | C24 | 70.4° | 96.0° |
C20 | N19 | C23 | H231 | 164.3° | 144.0° |
C20 | N19 | C23 | H232 | 54.9° | 24.0° |
C23 | N19 | C20 | O21 | 3.0° | 0.1° |
C23 | N19 | C20 | C22 | 176.7° | 179.2° |
N19 | C23 | C24 | H231 | 125.3° | 120.0° |
N19 | C23 | C24 | H232 | 125.3° | 120.0° |
N19 | C23 | H231 | H232 | 116.9° | 120.0° |
N19 | C23 | C24 | C25 | 57.0° | 86.2° |
N19 | C23 | C24 | C32 | 127.9° | 94.0° |
O21 | C20 | C22 | H22 | 75.5° | 73.6° |
C24 | C23 | H231 | H232 | 116.9° | 119.9° |
C23 | C24 | C25 | C32 | 175.2° | 179.8° |
C23 | C24 | C25 | C26 | 175.1° | 179.8° |
C23 | C24 | C25 | H25 | 4.9° | 0.1° |
C23 | C24 | C32 | C31 | 174.8° | 180.0° |
C23 | C24 | C32 | H32 | 5.3° | 0.1° |
H231 | C23 | C24 | C25 | 68.2° | 153.8° |
H231 | C23 | C24 | C32 | 106.9° | 26.0° |
H232 | C23 | C24 | C25 | 177.7° | 33.8° |
H232 | C23 | C24 | C32 | 2.6° | 146.0° |
C24 | C25 | C26 | H25 | 180.0° | 179.9° |
C24 | C25 | C26 | O27 | 145.9° | 179.8° |
C24 | C25 | C26 | C30 | 0.3° | 0.4° |
C25 | C24 | C32 | C31 | 0.3° | 0.2° |
C25 | C24 | C32 | H32 | 179.7° | 179.7° |
C32 | C24 | C25 | C26 | 0.0° | 0.4° |
C32 | C24 | C25 | H25 | 180.0° | 179.7° |
C24 | C32 | C31 | C30 | 0.9° | 0.0° |
C24 | C32 | C31 | H32 | 180.0° | 179.9° |
C24 | C32 | C31 | H31 | 179.1° | 180.0° |
C25 | C26 | O27 | C30 | 150.1° | 179.8° |
C25 | C26 | O27 | C28 | 173.1° | 163.0° |
C25 | C26 | C30 | O29 | 172.1° | 179.8° |
C25 | C26 | C30 | C31 | 1.0° | 0.2° |
H25 | C25 | C26 | O27 | 34.1° | 0.1° |
H25 | C25 | C26 | C30 | 179.7° | 179.7° |
C26 | O27 | C28 | O29 | 25.6° | 27.1° |
C26 | O27 | C28 | H281 | 99.7° | 91.5° |
C26 | O27 | C28 | H282 | 150.9° | 145.7° |
O27 | C26 | C30 | O29 | 36.0° | 0.1° |
O27 | C26 | C30 | C31 | 150.9° | 180.0° |
C30 | C26 | O27 | C28 | 36.7° | 17.3° |
C26 | C30 | O29 | C28 | 17.9° | 17.3° |
C26 | C30 | O29 | C31 | 172.0° | 180.0° |
C26 | C30 | C31 | C32 | 1.2° | 0.0° |
C26 | C30 | C31 | H31 | 178.8° | 180.0° |
O27 | C28 | O29 | H281 | 125.3° | 118.6° |
O27 | C28 | O29 | H282 | 125.3° | 118.6° |
O27 | C28 | H281 | H282 | 118.7° | 122.8° |
O27 | C28 | O29 | C30 | 5.2° | 27.2° |
O29 | C28 | H281 | H282 | 118.8° | 122.8° |
C28 | O29 | C30 | C31 | 170.1° | 162.7° |
H281 | C28 | O29 | C30 | 120.1° | 91.5° |
H282 | C28 | O29 | C30 | 130.5° | 145.7° |
O29 | C30 | C31 | C32 | 169.9° | 180.0° |
O29 | C30 | C31 | H31 | 10.1° | 0.0° |
C30 | C31 | C32 | H31 | 180.0° | 180.0° |
C30 | C31 | C32 | H32 | 179.1° | 180.0° |
H31 | C31 | C32 | H32 | 0.9° | 0.0° |
H6 | C6 | C5 | H5 | 0.4° | 0.2° |