AZE
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 0.00Å | 1.51Å | |
C1 | C6 | sing | 0.00Å | 1.57Å | |
C1 | C16 | sing | 0.00Å | 1.73Å | |
C1 | C17 | sing | 0.00Å | 1.43Å | |
C2 | C3 | sing | 0.00Å | 1.42Å | |
C2 | H21 | sing | 0.00Å | 1.12Å | |
C2 | H22 | sing | 0.00Å | 1.11Å | |
C3 | C4 | sing | 0.00Å | 1.40Å | |
C3 | H31 | sing | 0.00Å | 1.12Å | |
C3 | H32 | sing | 0.00Å | 1.11Å | |
C4 | C5 | sing | 0.00Å | 1.52Å | |
C4 | H41 | sing | 0.00Å | 1.12Å | |
C4 | H42 | sing | 0.00Å | 1.11Å | |
C5 | C6 | doub | 0.00Å | 1.44Å | |
C5 | C18 | sing | 0.00Å | 1.59Å | |
C6 | C7 | sing | 0.00Å | 1.53Å | |
C7 | C8 | doub | 0.00Å | 1.33Å | |
C7 | H7 | sing | 0.00Å | 1.10Å | |
C8 | C9 | sing | 0.00Å | 1.36Å | |
C8 | H8 | sing | 0.00Å | 1.10Å | |
C9 | C10 | doub | 0.00Å | 1.61Å | |
C9 | C19 | sing | 0.00Å | 1.37Å | |
C10 | C11 | sing | 0.00Å | 1.46Å | |
C10 | H10 | sing | 0.00Å | 1.10Å | |
C11 | C12 | doub | 0.00Å | 1.35Å | |
C11 | H11 | sing | 0.00Å | 1.10Å | |
C12 | C13 | sing | 0.00Å | 1.47Å | |
C12 | H12 | sing | 0.00Å | 1.10Å | |
C13 | C14 | doub | 0.00Å | 1.41Å | |
C13 | C20 | sing | 0.00Å | 1.50Å | |
C14 | C15 | sing | 0.00Å | 1.45Å | |
C14 | H14 | sing | 0.00Å | 1.10Å | |
C15 | H151 | sing | 0.00Å | 1.11Å | |
C15 | H152 | sing | 0.00Å | 1.11Å | |
C15 | H153 | sing | 0.00Å | 1.11Å | |
C16 | H161 | sing | 0.00Å | 1.11Å | |
C16 | H162 | sing | 0.00Å | 1.12Å | |
C16 | H163 | sing | 0.00Å | 1.12Å | |
C17 | H171 | sing | 0.00Å | 1.11Å | |
C17 | H172 | sing | 0.00Å | 1.12Å | |
C17 | H173 | sing | 0.00Å | 1.11Å | |
C18 | H181 | sing | 0.00Å | 1.12Å | |
C18 | H182 | sing | 0.00Å | 1.12Å | |
C18 | H183 | sing | 0.00Å | 1.11Å | |
C19 | H191 | sing | 0.00Å | 1.11Å | |
C19 | H192 | sing | 0.00Å | 1.11Å | |
C19 | H193 | sing | 0.00Å | 1.12Å | |
C20 | H201 | sing | 0.00Å | 1.11Å | |
C20 | H202 | sing | 0.00Å | 1.12Å | |
C20 | H203 | sing | 0.00Å | 1.12Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | C6 | 114.7° | 90.0° |
C2 | C1 | C16 | 108.1° | 90.0° |
C2 | C1 | C17 | 103.3° | 90.0° |
C1 | C2 | C3 | 116.7° | 90.0° |
C1 | C2 | H21 | 109.6° | 90.0° |
C1 | C2 | H22 | 109.6° | 90.0° |
C6 | C1 | C16 | 112.4° | 90.0° |
C6 | C1 | C17 | 102.9° | 90.0° |
C1 | C6 | C5 | 118.1° | 90.0° |
C1 | C6 | C7 | 117.3° | 90.0° |
C16 | C1 | C17 | 115.2° | 90.0° |
C1 | C16 | H161 | 108.1° | 90.0° |
C1 | C16 | H162 | 112.8° | 90.0° |
C1 | C16 | H163 | 112.7° | 90.0° |
C1 | C17 | H171 | 103.3° | 90.0° |
C1 | C17 | H172 | 114.5° | 90.0° |
C1 | C17 | H173 | 114.5° | 90.0° |
C3 | C2 | H21 | 109.6° | 90.0° |
C3 | C2 | H22 | 109.6° | 90.0° |
C2 | C3 | C4 | 122.0° | 90.0° |
C2 | C3 | H31 | 107.7° | 90.0° |
C2 | C3 | H32 | 107.7° | 90.0° |
H21 | C2 | H22 | 100.6° | 90.0° |
C4 | C3 | H31 | 107.7° | 90.0° |
C4 | C3 | H32 | 107.7° | 90.0° |
C3 | C4 | C5 | 112.5° | 90.0° |
C3 | C4 | H41 | 111.1° | 90.0° |
C3 | C4 | H42 | 111.1° | 90.0° |
H31 | C3 | H32 | 102.1° | 90.0° |
C5 | C4 | H41 | 111.1° | 90.0° |
C5 | C4 | H42 | 111.1° | 90.0° |
C4 | C5 | C6 | 123.0° | 90.0° |
C4 | C5 | C18 | 109.8° | 90.0° |
H41 | C4 | H42 | 99.2° | 90.0° |
C6 | C5 | C18 | 127.0° | 90.0° |
C5 | C6 | C7 | 124.1° | 90.0° |
C5 | C18 | H181 | 109.8° | 90.0° |
C5 | C18 | H182 | 112.1° | 90.0° |
C5 | C18 | H183 | 112.1° | 90.0° |
C6 | C7 | C8 | 126.8° | 90.0° |
C6 | C7 | H7 | 124.5° | 90.0° |
C8 | C7 | H7 | 108.7° | 90.0° |
C7 | C8 | C9 | 123.9° | 90.0° |
C7 | C8 | H8 | 116.8° | 90.0° |
C9 | C8 | H8 | 119.3° | 90.0° |
C8 | C9 | C10 | 110.4° | 90.0° |
C8 | C9 | C19 | 119.3° | 90.0° |
C10 | C9 | C19 | 127.6° | 90.0° |
C9 | C10 | C11 | 113.7° | 90.0° |
C9 | C10 | H10 | 127.5° | 90.0° |
C9 | C19 | H191 | 119.3° | 90.0° |
C9 | C19 | H192 | 108.7° | 90.0° |
C9 | C19 | H193 | 108.7° | 90.0° |
C11 | C10 | H10 | 118.8° | 90.0° |
C10 | C11 | C12 | 105.0° | 90.0° |
C10 | C11 | H11 | 130.3° | 90.0° |
C12 | C11 | H11 | 124.7° | 90.0° |
C11 | C12 | C13 | 115.5° | 90.0° |
C11 | C12 | H12 | 118.5° | 90.0° |
C13 | C12 | H12 | 126.0° | 90.0° |
C12 | C13 | C14 | 107.9° | 90.0° |
C12 | C13 | C20 | 110.9° | 90.0° |
C14 | C13 | C20 | 140.2° | 90.0° |
C13 | C14 | C15 | 109.4° | 90.0° |
C13 | C14 | H14 | 124.1° | 90.0° |
C13 | C20 | H201 | 110.9° | 90.0° |
C13 | C20 | H202 | 111.7° | 90.0° |
C13 | C20 | H203 | 111.6° | 90.0° |
C15 | C14 | H14 | 126.5° | 90.0° |
C14 | C15 | H151 | 109.4° | 90.0° |
C14 | C15 | H152 | 112.2° | 90.0° |
C14 | C15 | H153 | 112.2° | 90.0° |
H151 | C15 | H152 | 112.3° | 90.0° |
H151 | C15 | H153 | 112.2° | 90.0° |
H152 | C15 | H153 | 98.2° | 90.0° |
H161 | C16 | H162 | 112.8° | 90.0° |
H161 | C16 | H163 | 112.7° | 90.0° |
H162 | C16 | H163 | 97.7° | 90.0° |
H171 | C17 | H172 | 114.6° | 90.0° |
H171 | C17 | H173 | 114.6° | 90.0° |
H172 | C17 | H173 | 96.0° | 90.0° |
H181 | C18 | H182 | 112.0° | 90.0° |
H181 | C18 | H183 | 112.1° | 90.0° |
H182 | C18 | H183 | 98.3° | 90.0° |
H191 | C19 | H192 | 108.7° | 90.0° |
H191 | C19 | H193 | 108.7° | 90.0° |
H192 | C19 | H193 | 101.3° | 90.0° |
H201 | C20 | H202 | 111.7° | 90.0° |
H201 | C20 | H203 | 111.6° | 90.0° |
H202 | C20 | H203 | 98.7° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | C6 | C16 | 124.0° | 90.0° |
C2 | C1 | C6 | C17 | 111.5° | 90.0° |
C2 | C1 | C16 | C17 | 114.9° | 90.0° |
C1 | C2 | C3 | H21 | 125.3° | 90.0° |
C1 | C2 | C3 | H22 | 125.3° | 90.0° |
C1 | C2 | H21 | H22 | 115.4° | 90.0° |
C1 | C2 | C3 | C4 | 44.9° | 90.0° |
C1 | C2 | C3 | H31 | 170.1° | 90.0° |
C1 | C2 | C3 | H32 | 80.4° | 90.0° |
C2 | C1 | C6 | C5 | 0.5° | 90.0° |
C2 | C1 | C6 | C7 | 173.0° | 90.0° |
C2 | C1 | C16 | H161 | 180.0° | 90.0° |
C2 | C1 | C16 | H162 | 54.7° | 90.0° |
C2 | C1 | C16 | H163 | 54.7° | 90.0° |
C2 | C1 | C17 | H171 | 180.0° | 90.0° |
C2 | C1 | C17 | H172 | 54.7° | 90.0° |
C2 | C1 | C17 | H173 | 54.7° | 90.0° |
C6 | C1 | C16 | C17 | 117.5° | 90.0° |
C6 | C1 | C2 | C3 | 22.5° | 90.0° |
C6 | C1 | C2 | H21 | 102.8° | 90.0° |
C6 | C1 | C2 | H22 | 147.7° | 90.0° |
C1 | C6 | C5 | C4 | 5.8° | 90.0° |
C1 | C6 | C5 | C7 | 172.0° | 90.0° |
C1 | C6 | C5 | C18 | 179.8° | 90.0° |
C1 | C6 | C7 | C8 | 133.5° | 90.0° |
C1 | C6 | C7 | H7 | 46.5° | 90.0° |
C6 | C1 | C16 | H161 | 52.4° | 90.0° |
C6 | C1 | C16 | H162 | 177.7° | 90.0° |
C6 | C1 | C16 | H163 | 72.8° | 90.0° |
C6 | C1 | C17 | H171 | 60.4° | 90.0° |
C6 | C1 | C17 | H172 | 64.9° | 90.0° |
C6 | C1 | C17 | H173 | 174.3° | 90.0° |
C16 | C1 | C2 | C3 | 148.7° | 90.0° |
C16 | C1 | C2 | H21 | 23.5° | 90.0° |
C16 | C1 | C2 | H22 | 86.0° | 90.0° |
C16 | C1 | C6 | C5 | 123.5° | 90.0° |
C16 | C1 | C6 | C7 | 49.0° | 90.0° |
C1 | C16 | H161 | H162 | 125.3° | 90.0° |
C1 | C16 | H161 | H163 | 125.2° | 90.0° |
C1 | C16 | H162 | H163 | 118.6° | 90.0° |
C16 | C1 | C17 | H171 | 62.4° | 90.0° |
C16 | C1 | C17 | H172 | 172.4° | 90.0° |
C16 | C1 | C17 | H173 | 62.9° | 90.0° |
C17 | C1 | C2 | C3 | 88.8° | 90.0° |
C17 | C1 | C2 | H21 | 146.0° | 90.0° |
C17 | C1 | C2 | H22 | 36.5° | 90.0° |
C17 | C1 | C6 | C5 | 111.9° | 90.0° |
C17 | C1 | C6 | C7 | 75.5° | 90.0° |
C17 | C1 | C16 | H161 | 65.1° | 90.0° |
C17 | C1 | C16 | H162 | 60.2° | 90.0° |
C17 | C1 | C16 | H163 | 169.7° | 90.0° |
C1 | C17 | H171 | H172 | 125.2° | 90.0° |
C1 | C17 | H171 | H173 | 125.2° | 90.0° |
C1 | C17 | H172 | H173 | 120.4° | 90.0° |
C3 | C2 | H21 | H22 | 115.4° | 90.0° |
C2 | C3 | C4 | H31 | 125.2° | 90.0° |
C2 | C3 | C4 | H32 | 125.3° | 90.0° |
C2 | C3 | H31 | H32 | 113.3° | 90.0° |
C2 | C3 | C4 | C5 | 37.9° | 90.0° |
C2 | C3 | C4 | H41 | 87.3° | 90.0° |
C2 | C3 | C4 | H42 | 163.3° | 90.0° |
H21 | C2 | C3 | C4 | 80.4° | 90.0° |
H21 | C2 | C3 | H31 | 44.8° | 90.0° |
H21 | C2 | C3 | H32 | 154.3° | 90.0° |
H22 | C2 | C3 | C4 | 170.1° | 90.0° |
H22 | C2 | C3 | H31 | 64.6° | 90.0° |
H22 | C2 | C3 | H32 | 44.9° | 90.0° |
C4 | C3 | H31 | H32 | 113.3° | 90.0° |
C3 | C4 | C5 | H41 | 125.2° | 90.0° |
C3 | C4 | C5 | H42 | 125.3° | 90.0° |
C3 | C4 | H41 | H42 | 117.0° | 90.0° |
C3 | C4 | C5 | C6 | 11.6° | 90.0° |
C3 | C4 | C5 | C18 | 163.3° | 90.0° |
H31 | C3 | C4 | C5 | 163.2° | 90.0° |
H31 | C3 | C4 | H41 | 37.9° | 90.0° |
H31 | C3 | C4 | H42 | 71.5° | 90.0° |
H32 | C3 | C4 | C5 | 87.3° | 90.0° |
H32 | C3 | C4 | H41 | 147.4° | 90.0° |
H32 | C3 | C4 | H42 | 38.0° | 90.0° |
C5 | C4 | H41 | H42 | 117.0° | 90.0° |
C4 | C5 | C6 | C18 | 174.0° | 90.0° |
C4 | C5 | C6 | C7 | 177.8° | 90.0° |
C4 | C5 | C18 | H181 | 179.9° | 90.0° |
C4 | C5 | C18 | H182 | 54.7° | 90.0° |
C4 | C5 | C18 | H183 | 54.7° | 90.0° |
H41 | C4 | C5 | C6 | 113.6° | 90.0° |
H41 | C4 | C5 | C18 | 71.4° | 90.0° |
H42 | C4 | C5 | C6 | 136.9° | 90.0° |
H42 | C4 | C5 | C18 | 38.0° | 90.0° |
C5 | C6 | C7 | C8 | 54.4° | 90.0° |
C5 | C6 | C7 | H7 | 125.5° | 90.0° |
C6 | C5 | C18 | H181 | 5.4° | 90.0° |
C6 | C5 | C18 | H182 | 130.6° | 90.0° |
C6 | C5 | C18 | H183 | 119.9° | 90.0° |
C18 | C5 | C6 | C7 | 8.2° | 90.0° |
C5 | C18 | H181 | H182 | 125.2° | 90.0° |
C5 | C18 | H181 | H183 | 125.3° | 90.0° |
C5 | C18 | H182 | H183 | 118.0° | 90.0° |
C6 | C7 | C8 | H7 | 180.0° | 90.0° |
C6 | C7 | C8 | C9 | 174.6° | 90.0° |
C6 | C7 | C8 | H8 | 5.4° | 90.0° |
C7 | C8 | C9 | H8 | 180.0° | 90.0° |
C7 | C8 | C9 | C10 | 175.0° | 90.0° |
C7 | C8 | C9 | C19 | 12.4° | 90.0° |
H7 | C7 | C8 | C9 | 5.4° | 90.0° |
H7 | C7 | C8 | H8 | 174.6° | 90.0° |
C8 | C9 | C10 | C19 | 160.8° | 90.0° |
C8 | C9 | C10 | C11 | 177.6° | 90.0° |
C8 | C9 | C10 | H10 | 2.4° | 90.0° |
C8 | C9 | C19 | H191 | 180.0° | 90.0° |
C8 | C9 | C19 | H192 | 54.7° | 90.0° |
C8 | C9 | C19 | H193 | 54.8° | 90.0° |
H8 | C8 | C9 | C10 | 5.0° | 90.0° |
H8 | C8 | C9 | C19 | 167.6° | 90.0° |
C9 | C10 | C11 | H10 | 180.0° | 90.0° |
C9 | C10 | C11 | C12 | 175.7° | 90.0° |
C9 | C10 | C11 | H11 | 4.3° | 90.0° |
C10 | C9 | C19 | H191 | 20.7° | 90.0° |
C10 | C9 | C19 | H192 | 104.6° | 90.0° |
C10 | C9 | C19 | H193 | 145.9° | 90.0° |
C19 | C9 | C10 | C11 | 16.8° | 90.0° |
C19 | C9 | C10 | H10 | 163.2° | 90.0° |
C9 | C19 | H191 | H192 | 125.3° | 90.0° |
C9 | C19 | H191 | H193 | 125.2° | 90.0° |
C9 | C19 | H192 | H193 | 114.4° | 90.0° |
C10 | C11 | C12 | H11 | 180.0° | 90.0° |
C10 | C11 | C12 | C13 | 177.5° | 90.0° |
C10 | C11 | C12 | H12 | 2.6° | 90.0° |
H10 | C10 | C11 | C12 | 4.3° | 90.0° |
H10 | C10 | C11 | H11 | 175.7° | 90.0° |
C11 | C12 | C13 | H12 | 179.9° | 90.0° |
C11 | C12 | C13 | C14 | 171.8° | 90.0° |
C11 | C12 | C13 | C20 | 0.8° | 90.0° |
H11 | C11 | C12 | C13 | 2.5° | 90.0° |
H11 | C11 | C12 | H12 | 177.4° | 90.0° |
C12 | C13 | C14 | C20 | 166.9° | 90.0° |
C12 | C13 | C14 | C15 | 179.8° | 90.0° |
C12 | C13 | C14 | H14 | 0.2° | 90.0° |
C12 | C13 | C20 | H201 | 179.9° | 90.0° |
C12 | C13 | C20 | H202 | 54.7° | 90.0° |
C12 | C13 | C20 | H203 | 54.7° | 90.0° |
H12 | C12 | C13 | C14 | 8.1° | 90.0° |
H12 | C12 | C13 | C20 | 179.2° | 90.0° |
C13 | C14 | C15 | H14 | 179.9° | 90.0° |
C13 | C14 | C15 | H151 | 180.0° | 90.0° |
C13 | C14 | C15 | H152 | 54.7° | 90.0° |
C13 | C14 | C15 | H153 | 54.7° | 90.0° |
C14 | C13 | C20 | H201 | 13.3° | 90.0° |
C14 | C13 | C20 | H202 | 138.7° | 90.0° |
C14 | C13 | C20 | H203 | 111.9° | 90.0° |
C20 | C13 | C14 | C15 | 12.9° | 90.0° |
C20 | C13 | C14 | H14 | 167.0° | 90.0° |
C13 | C20 | H201 | H202 | 125.3° | 90.0° |
C13 | C20 | H201 | H203 | 125.2° | 90.0° |
C13 | C20 | H202 | H203 | 117.5° | 90.0° |
C14 | C15 | H151 | H152 | 125.3° | 90.0° |
C14 | C15 | H151 | H153 | 125.2° | 90.0° |
C14 | C15 | H152 | H153 | 118.1° | 90.0° |
H14 | C14 | C15 | H151 | 0.0° | 90.0° |
H14 | C14 | C15 | H152 | 125.3° | 90.0° |
H14 | C14 | C15 | H153 | 125.2° | 90.0° |
H151 | C15 | H152 | H153 | 118.2° | 90.0° |
H161 | C16 | H162 | H163 | 118.6° | 90.0° |
H171 | C17 | H172 | H173 | 120.5° | 90.0° |
H181 | C18 | H182 | H183 | 118.0° | 90.0° |
H191 | C19 | H192 | H193 | 114.4° | 90.0° |
H201 | C20 | H202 | H203 | 117.6° | 90.0° |