GL8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | doub | 1.29Å | 1.35Å | |
C1 | C6 | sing | 1.50Å | 1.58Å | |
C1 | H1 | sing | 1.08Å | 1.10Å | |
C2 | C3 | sing | 1.51Å | 1.55Å | |
C2 | H2 | sing | 1.08Å | 1.10Å | |
C3 | C4 | sing | 1.53Å | 1.66Å | |
C3 | O3 | sing | 1.43Å | 1.49Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
C4 | C5 | sing | 1.52Å | 1.57Å | |
C4 | H4C1 | sing | 1.09Å | 1.12Å | |
C4 | H4C2 | sing | 1.09Å | 1.11Å | |
C5 | C6 | sing | 1.54Å | 1.54Å | |
C5 | O1 | sing | 1.44Å | 1.42Å | |
C5 | H5 | sing | 1.09Å | 1.11Å | |
C6 | C12 | sing | 1.50Å | 1.58Å | |
C6 | C14 | sing | 1.50Å | 1.47Å | |
C7 | C8 | doub | 1.39Å | 1.43Å | Aromatic |
C7 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
C7 | O2 | sing | 1.36Å | 1.41Å | |
C8 | C9 | sing | 1.37Å | 1.41Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
C9 | C15 | doub | 1.41Å | 1.44Å | Aromatic |
C9 | H9 | sing | 1.08Å | 1.10Å | |
C10 | C15 | sing | 1.45Å | 1.46Å | |
C10 | N1 | doub | 1.25Å | 1.28Å | |
C10 | H10 | sing | 1.08Å | 1.10Å | |
C11 | C12 | sing | 1.51Å | 1.56Å | |
C11 | N1 | sing | 1.44Å | 1.51Å | |
C11 | H111 | sing | 1.09Å | 1.12Å | |
C11 | H112 | sing | 1.09Å | 1.12Å | |
C12 | H121 | sing | 1.09Å | 1.11Å | |
C12 | H122 | sing | 1.09Å | 1.11Å | |
C13 | C14 | doub | 1.40Å | 1.42Å | Aromatic |
C13 | O1 | sing | 1.35Å | 1.39Å | |
C14 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
C16 | O2 | sing | 1.43Å | 1.43Å | |
C16 | H161 | sing | 1.09Å | 1.11Å | |
C16 | H162 | sing | 1.09Å | 1.12Å | |
C16 | H163 | sing | 1.09Å | 1.12Å | |
C17 | C18 | sing | 1.53Å | 1.58Å | |
C17 | N1 | sing | 1.46Å | 1.47Å | |
C17 | H171 | sing | 1.09Å | 1.12Å | |
C17 | H172 | sing | 1.09Å | 1.11Å | |
C18 | C19 | sing | 1.53Å | 1.59Å | |
C18 | H181 | sing | 1.09Å | 1.11Å | |
C18 | H182 | sing | 1.09Å | 1.12Å | |
C19 | C20 | sing | 1.53Å | 1.53Å | |
C19 | H191 | sing | 1.09Å | 1.12Å | |
C19 | H192 | sing | 1.09Å | 1.11Å | |
C20 | C21 | sing | 1.53Å | 1.54Å | |
C20 | H201 | sing | 1.09Å | 1.11Å | |
C20 | H202 | sing | 1.09Å | 1.12Å | |
C21 | C22 | sing | 1.53Å | 1.57Å | |
C21 | H211 | sing | 1.09Å | 1.11Å | |
C21 | H212 | sing | 1.09Å | 1.12Å | |
C22 | C23 | sing | 1.53Å | 1.56Å | |
C22 | H221 | sing | 1.09Å | 1.11Å | |
C22 | H222 | sing | 1.09Å | 1.11Å | |
C23 | C24 | sing | 1.53Å | 1.44Å | |
C23 | H231 | sing | 1.09Å | 1.11Å | |
C23 | H232 | sing | 1.09Å | 1.12Å | |
C24 | N2 | sing | 1.47Å | 1.43Å | |
C24 | H241 | sing | 1.09Å | 1.11Å | |
C24 | H242 | sing | 1.09Å | 1.12Å | |
C25 | C26 | sing | 1.48Å | 1.39Å | |
C25 | O25 | doub | 1.21Å | 1.29Å | |
C25 | N2 | sing | 1.35Å | 1.32Å | |
C26 | C27 | doub | 1.39Å | 1.41Å | Aromatic |
C26 | C31 | sing | 1.41Å | 1.38Å | Aromatic |
C27 | C28 | sing | 1.39Å | 1.44Å | Aromatic |
C27 | H27 | sing | 1.08Å | 1.10Å | |
C28 | C29 | doub | 1.38Å | 1.42Å | Aromatic |
C28 | H28 | sing | 1.08Å | 1.10Å | |
C29 | C30 | sing | 1.39Å | 1.43Å | Aromatic |
C29 | H29 | sing | 1.08Å | 1.10Å | |
C30 | C31 | doub | 1.39Å | 1.41Å | Aromatic |
C30 | H30 | sing | 1.08Å | 1.10Å | |
C31 | C32 | sing | 1.48Å | 1.39Å | |
C32 | O32 | doub | 1.21Å | 1.28Å | |
C32 | N2 | sing | 1.34Å | 1.33Å | |
O3 | HA | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | C6 | 125.4° | 126.2° |
C2 | C1 | H1 | 117.3° | 116.9° |
C1 | C2 | C3 | 121.1° | 122.3° |
C1 | C2 | H2 | 119.5° | 118.8° |
C6 | C1 | H1 | 117.3° | 116.9° |
C1 | C6 | C5 | 110.8° | 111.2° |
C1 | C6 | C12 | 107.9° | 109.9° |
C1 | C6 | C14 | 107.4° | 108.6° |
C3 | C2 | H2 | 119.4° | 118.9° |
C2 | C3 | C4 | 111.9° | 108.1° |
C2 | C3 | O3 | 97.9° | 109.7° |
C2 | C3 | H3 | 110.4° | 109.7° |
C4 | C3 | O3 | 115.1° | 109.8° |
C4 | C3 | H3 | 110.5° | 109.7° |
C3 | C4 | C5 | 107.2° | 108.9° |
C3 | C4 | H4C1 | 113.1° | 109.6° |
C3 | C4 | H4C2 | 113.1° | 109.6° |
O3 | C3 | H3 | 110.5° | 109.8° |
C3 | O3 | HA | 97.9° | 106.8° |
C5 | C4 | H4C1 | 113.1° | 109.5° |
C5 | C4 | H4C2 | 113.1° | 109.6° |
C4 | C5 | C6 | 110.5° | 111.4° |
C4 | C5 | O1 | 112.4° | 110.0° |
C4 | C5 | H5 | 107.6° | 110.8° |
H4C1 | C4 | H4C2 | 97.4° | 109.6° |
C6 | C5 | O1 | 111.0° | 101.9° |
C6 | C5 | H5 | 107.6° | 111.4° |
C5 | C6 | C12 | 116.8° | 112.5° |
C5 | C6 | C14 | 94.9° | 101.3° |
O1 | C5 | H5 | 107.6° | 111.0° |
C5 | O1 | C13 | 99.0° | 108.2° |
C12 | C6 | C14 | 118.3° | 112.9° |
C6 | C12 | C11 | 113.1° | 112.4° |
C6 | C12 | H121 | 110.9° | 108.9° |
C6 | C12 | H122 | 110.9° | 108.9° |
C6 | C14 | C13 | 109.0° | 106.3° |
C6 | C14 | C15 | 130.4° | 131.5° |
C8 | C7 | C13 | 117.8° | 117.5° |
C8 | C7 | O2 | 125.3° | 121.2° |
C7 | C8 | C9 | 119.3° | 122.0° |
C7 | C8 | H8 | 120.3° | 119.0° |
C13 | C7 | O2 | 116.6° | 121.3° |
C7 | C13 | C14 | 122.7° | 120.1° |
C7 | C13 | O1 | 124.2° | 128.6° |
C7 | O2 | C16 | 115.4° | 106.8° |
C9 | C8 | H8 | 120.4° | 119.0° |
C8 | C9 | C15 | 121.7° | 121.3° |
C8 | C9 | H9 | 119.1° | 119.3° |
C15 | C9 | H9 | 119.1° | 119.4° |
C9 | C15 | C10 | 116.7° | 119.8° |
C9 | C15 | C14 | 117.8° | 116.7° |
C15 | C10 | N1 | 134.5° | 131.5° |
C15 | C10 | H10 | 112.7° | 114.2° |
C10 | C15 | C14 | 125.4° | 123.5° |
N1 | C10 | H10 | 112.8° | 114.3° |
C10 | N1 | C11 | 128.6° | 131.2° |
C10 | N1 | C17 | 112.9° | 114.4° |
C12 | C11 | N1 | 118.6° | 114.9° |
C12 | C11 | H111 | 108.9° | 108.4° |
C12 | C11 | H112 | 108.9° | 108.4° |
C11 | C12 | H121 | 110.9° | 108.9° |
C11 | C12 | H122 | 110.9° | 108.9° |
N1 | C11 | H111 | 108.9° | 108.4° |
N1 | C11 | H112 | 108.9° | 108.4° |
C11 | N1 | C17 | 118.2° | 114.4° |
H111 | C11 | H112 | 101.1° | 108.2° |
H121 | C12 | H122 | 99.4° | 108.7° |
C14 | C13 | O1 | 113.1° | 111.3° |
C13 | C14 | C15 | 120.6° | 122.2° |
O2 | C16 | H161 | 115.5° | 109.5° |
O2 | C16 | H162 | 110.0° | 109.4° |
O2 | C16 | H163 | 110.1° | 109.5° |
H161 | C16 | H162 | 110.0° | 109.5° |
H161 | C16 | H163 | 110.0° | 109.5° |
H162 | C16 | H163 | 100.2° | 109.5° |
C18 | C17 | N1 | 111.3° | 109.5° |
C18 | C17 | H171 | 111.5° | 109.5° |
C18 | C17 | H172 | 111.5° | 109.4° |
C17 | C18 | C19 | 115.2° | 109.5° |
C17 | C18 | H181 | 110.1° | 109.5° |
C17 | C18 | H182 | 110.1° | 109.4° |
N1 | C17 | H171 | 111.5° | 109.5° |
N1 | C17 | H172 | 111.5° | 109.5° |
H171 | C17 | H172 | 98.8° | 109.5° |
C19 | C18 | H181 | 110.1° | 109.5° |
C19 | C18 | H182 | 110.1° | 109.5° |
C18 | C19 | C20 | 109.9° | 109.5° |
C18 | C19 | H191 | 112.0° | 109.5° |
C18 | C19 | H192 | 112.1° | 109.5° |
H181 | C18 | H182 | 100.1° | 109.4° |
C20 | C19 | H191 | 112.0° | 109.5° |
C20 | C19 | H192 | 112.0° | 109.4° |
C19 | C20 | C21 | 110.5° | 109.5° |
C19 | C20 | H201 | 111.8° | 109.5° |
C19 | C20 | H202 | 111.8° | 109.4° |
H191 | C19 | H192 | 98.4° | 109.4° |
C21 | C20 | H201 | 111.8° | 109.5° |
C21 | C20 | H202 | 111.8° | 109.5° |
C20 | C21 | C22 | 108.8° | 109.5° |
C20 | C21 | H211 | 112.5° | 109.5° |
C20 | C21 | H212 | 112.5° | 109.5° |
H201 | C20 | H202 | 98.6° | 109.5° |
C22 | C21 | H211 | 112.4° | 109.5° |
C22 | C21 | H212 | 112.4° | 109.4° |
C21 | C22 | C23 | 109.2° | 109.5° |
C21 | C22 | H221 | 112.3° | 109.5° |
C21 | C22 | H222 | 112.3° | 109.4° |
H211 | C21 | H212 | 98.0° | 109.4° |
C23 | C22 | H221 | 112.3° | 109.5° |
C23 | C22 | H222 | 112.3° | 109.5° |
C22 | C23 | C24 | 100.0° | 109.4° |
C22 | C23 | H231 | 115.8° | 109.5° |
C22 | C23 | H232 | 115.9° | 109.5° |
H221 | C22 | H222 | 98.1° | 109.4° |
C24 | C23 | H231 | 115.8° | 109.4° |
C24 | C23 | H232 | 115.8° | 109.5° |
C23 | C24 | N2 | 121.0° | 109.5° |
C23 | C24 | H241 | 108.1° | 109.5° |
C23 | C24 | H242 | 108.1° | 109.5° |
H231 | C23 | H232 | 94.6° | 109.5° |
N2 | C24 | H241 | 108.1° | 109.4° |
N2 | C24 | H242 | 108.1° | 109.4° |
C24 | N2 | C25 | 123.0° | 124.5° |
C24 | N2 | C32 | 124.6° | 124.5° |
H241 | C24 | H242 | 101.8° | 109.4° |
C26 | C25 | O25 | 126.1° | 125.7° |
C26 | C25 | N2 | 107.1° | 108.6° |
C25 | C26 | C27 | 130.7° | 134.3° |
C25 | C26 | C31 | 106.9° | 105.9° |
O25 | C25 | N2 | 126.7° | 125.7° |
C25 | N2 | C32 | 111.9° | 111.1° |
C27 | C26 | C31 | 122.4° | 119.8° |
C26 | C27 | C28 | 117.0° | 119.7° |
C26 | C27 | H27 | 121.5° | 120.2° |
C26 | C31 | C30 | 122.2° | 119.8° |
C26 | C31 | C32 | 107.2° | 105.9° |
C28 | C27 | H27 | 121.5° | 120.1° |
C27 | C28 | C29 | 120.1° | 120.4° |
C27 | C28 | H28 | 119.9° | 119.8° |
C29 | C28 | H28 | 119.9° | 119.8° |
C28 | C29 | C30 | 121.3° | 120.5° |
C28 | C29 | H29 | 119.4° | 119.8° |
C30 | C29 | H29 | 119.3° | 119.7° |
C29 | C30 | C31 | 116.9° | 119.7° |
C29 | C30 | H30 | 121.5° | 120.2° |
C31 | C30 | H30 | 121.6° | 120.1° |
C30 | C31 | C32 | 130.6° | 134.3° |
C31 | C32 | O32 | 125.8° | 125.7° |
C31 | C32 | N2 | 106.8° | 108.6° |
O32 | C32 | N2 | 127.4° | 125.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | C6 | H1 | 180.0° | 180.0° |
C1 | C2 | C3 | H2 | 180.0° | 180.0° |
C1 | C2 | C3 | C4 | 20.3° | 27.6° |
C1 | C2 | C3 | O3 | 100.8° | 92.1° |
C1 | C2 | C3 | H3 | 143.8° | 147.2° |
C2 | C1 | C6 | C5 | 20.2° | 2.1° |
C2 | C1 | C6 | C12 | 108.9° | 123.2° |
C2 | C1 | C6 | C14 | 122.6° | 112.8° |
C6 | C1 | C2 | C3 | 5.8° | 0.4° |
C6 | C1 | C2 | H2 | 174.2° | 179.6° |
C1 | C6 | C5 | C4 | 50.2° | 33.5° |
C1 | C6 | C5 | C12 | 124.1° | 123.9° |
C1 | C6 | C5 | C14 | 110.7° | 115.3° |
C1 | C6 | C5 | O1 | 75.2° | 83.8° |
C1 | C6 | C5 | H5 | 167.3° | 157.8° |
C1 | C6 | C12 | C14 | 122.0° | 121.4° |
C1 | C6 | C12 | C11 | 56.9° | 49.8° |
C1 | C6 | C12 | H121 | 68.4° | 71.0° |
C1 | C6 | C12 | H122 | 177.8° | 170.6° |
C1 | C6 | C14 | C13 | 92.8° | 94.7° |
C1 | C6 | C14 | C15 | 85.4° | 85.2° |
H1 | C1 | C2 | C3 | 174.2° | 179.5° |
H1 | C1 | C2 | H2 | 5.8° | 0.5° |
H1 | C1 | C6 | C5 | 159.8° | 177.9° |
H1 | C1 | C6 | C12 | 71.2° | 56.7° |
H1 | C1 | C6 | C14 | 57.4° | 67.2° |
C2 | C3 | C4 | O3 | 110.6° | 119.7° |
C2 | C3 | C4 | H3 | 123.5° | 119.6° |
C2 | C3 | O3 | H3 | 115.3° | 120.6° |
C2 | C3 | C4 | C5 | 48.5° | 57.5° |
C2 | C3 | C4 | H4C1 | 76.7° | 177.3° |
C2 | C3 | C4 | H4C2 | 173.8° | 62.3° |
C2 | C3 | O3 | HA | 180.0° | 60.1° |
H2 | C2 | C3 | C4 | 159.7° | 152.4° |
H2 | C2 | C3 | O3 | 79.2° | 87.9° |
H2 | C2 | C3 | H3 | 36.1° | 32.8° |
C4 | C3 | O3 | H3 | 125.9° | 120.7° |
C3 | C4 | C5 | H4C1 | 125.3° | 119.8° |
C3 | C4 | C5 | H4C2 | 125.3° | 119.9° |
C3 | C4 | H4C1 | H4C2 | 119.0° | 120.3° |
C3 | C4 | C5 | C6 | 64.9° | 62.5° |
C3 | C4 | C5 | O1 | 59.7° | 49.7° |
C3 | C4 | C5 | H5 | 177.9° | 172.8° |
C4 | C3 | O3 | HA | 61.2° | 178.7° |
O3 | C3 | C4 | C5 | 62.0° | 62.1° |
O3 | C3 | C4 | H4C1 | 172.7° | 57.7° |
O3 | C3 | C4 | H4C2 | 63.2° | 178.0° |
H3 | C3 | C4 | C5 | 172.0° | 177.1° |
H3 | C3 | C4 | H4C1 | 46.8° | 63.1° |
H3 | C3 | C4 | H4C2 | 62.7° | 57.3° |
H3 | C3 | O3 | HA | 64.7° | 60.6° |
C5 | C4 | H4C1 | H4C2 | 119.0° | 120.2° |
C4 | C5 | C6 | O1 | 125.4° | 117.3° |
C4 | C5 | C6 | H5 | 117.2° | 124.3° |
C4 | C5 | O1 | H5 | 118.3° | 123.0° |
C4 | C5 | C6 | C12 | 73.9° | 90.4° |
C4 | C5 | C6 | C14 | 160.9° | 148.8° |
C4 | C5 | O1 | C13 | 159.5° | 149.1° |
H4C1 | C4 | C5 | C6 | 60.4° | 177.6° |
H4C1 | C4 | C5 | O1 | 175.0° | 70.1° |
H4C1 | C4 | C5 | H5 | 56.8° | 53.0° |
H4C2 | C4 | C5 | C6 | 169.8° | 57.4° |
H4C2 | C4 | C5 | O1 | 65.6° | 169.6° |
H4C2 | C4 | C5 | H5 | 52.7° | 67.3° |
C6 | C5 | O1 | H5 | 117.4° | 118.7° |
C5 | C6 | C12 | C14 | 112.4° | 114.0° |
C5 | C6 | C12 | C11 | 177.5° | 174.4° |
C5 | C6 | C12 | H121 | 57.2° | 53.6° |
C5 | C6 | C12 | H122 | 52.2° | 64.8° |
C5 | C6 | C14 | C13 | 20.8° | 22.5° |
C6 | C5 | O1 | C13 | 35.2° | 30.8° |
C5 | C6 | C14 | C15 | 161.0° | 157.6° |
O1 | C5 | C6 | C12 | 160.7° | 152.3° |
O1 | C5 | C6 | C14 | 35.5° | 31.5° |
C5 | O1 | C13 | C7 | 159.7° | 164.5° |
C5 | O1 | C13 | C14 | 20.2° | 17.4° |
H5 | C5 | C6 | C12 | 43.3° | 34.0° |
H5 | C5 | C6 | C14 | 82.0° | 86.9° |
H5 | C5 | O1 | C13 | 82.2° | 88.0° |
C6 | C12 | C11 | H121 | 125.3° | 120.8° |
C6 | C12 | C11 | H122 | 125.3° | 120.8° |
C6 | C12 | C11 | N1 | 61.7° | 74.8° |
C6 | C12 | C11 | H111 | 63.6° | 46.6° |
C6 | C12 | C11 | H112 | 173.0° | 163.8° |
C6 | C12 | H121 | H122 | 116.7° | 118.6° |
C12 | C6 | C14 | C13 | 144.9° | 143.1° |
C12 | C6 | C14 | C15 | 36.9° | 37.0° |
C6 | C14 | C13 | C7 | 178.3° | 173.8° |
C6 | C14 | C15 | C9 | 176.7° | 174.8° |
C6 | C14 | C15 | C10 | 5.8° | 7.6° |
C14 | C6 | C12 | C11 | 65.1° | 71.6° |
C14 | C6 | C12 | H121 | 169.6° | 167.6° |
C14 | C6 | C12 | H122 | 60.1° | 49.2° |
C6 | C14 | C13 | C15 | 178.4° | 179.9° |
C6 | C14 | C13 | O1 | 1.8° | 4.5° |
C8 | C7 | C13 | O2 | 173.8° | 179.7° |
C7 | C8 | C9 | H8 | 180.0° | 180.0° |
C7 | C8 | C9 | C15 | 0.6° | 1.6° |
C7 | C8 | C9 | H9 | 179.4° | 178.5° |
C8 | C7 | C13 | C14 | 1.5° | 3.0° |
C8 | C7 | C13 | O1 | 178.6° | 179.0° |
C8 | C7 | O2 | C16 | 4.6° | 0.0° |
C13 | C7 | C8 | C9 | 1.8° | 0.7° |
C13 | C7 | C8 | H8 | 178.2° | 179.3° |
C7 | C13 | C14 | O1 | 179.9° | 178.3° |
C7 | C13 | C14 | C15 | 0.1° | 6.1° |
C13 | C7 | O2 | C16 | 168.7° | 179.7° |
O2 | C7 | C8 | C9 | 171.4° | 179.0° |
O2 | C7 | C8 | H8 | 8.6° | 1.0° |
O2 | C7 | C13 | C14 | 172.3° | 177.3° |
O2 | C7 | C13 | O1 | 7.6° | 0.7° |
C7 | O2 | C16 | H161 | 180.0° | 60.0° |
C7 | O2 | C16 | H162 | 54.7° | 60.0° |
C7 | O2 | C16 | H163 | 54.7° | 180.0° |
C8 | C9 | C15 | H9 | 180.0° | 179.9° |
C8 | C9 | C15 | C10 | 176.7° | 176.4° |
C8 | C9 | C15 | C14 | 1.0° | 1.3° |
H8 | C8 | C9 | C15 | 179.4° | 178.4° |
H8 | C8 | C9 | H9 | 0.6° | 1.5° |
C9 | C15 | C10 | C14 | 177.5° | 177.5° |
C9 | C15 | C10 | N1 | 176.0° | 179.9° |
C9 | C15 | C10 | H10 | 4.0° | 0.1° |
C9 | C15 | C14 | C13 | 1.3° | 5.0° |
H9 | C9 | C15 | C10 | 3.3° | 3.6° |
H9 | C9 | C15 | C14 | 179.0° | 178.7° |
C15 | C10 | N1 | H10 | 180.0° | 180.0° |
C15 | C10 | N1 | C11 | 4.7° | 5.3° |
C10 | C15 | C14 | C13 | 176.2° | 172.6° |
C15 | C10 | N1 | C17 | 168.5° | 174.8° |
C10 | N1 | C11 | C12 | 31.4° | 39.3° |
C10 | N1 | C11 | C17 | 172.9° | 179.9° |
C10 | N1 | C11 | H111 | 93.9° | 82.1° |
C10 | N1 | C11 | H112 | 156.7° | 160.7° |
N1 | C10 | C15 | C14 | 1.5° | 2.6° |
C10 | N1 | C17 | C18 | 99.2° | 115.0° |
C10 | N1 | C17 | H171 | 26.1° | 125.0° |
C10 | N1 | C17 | H172 | 135.6° | 4.9° |
H10 | C10 | N1 | C11 | 175.3° | 174.8° |
H10 | C10 | C15 | C14 | 178.5° | 177.4° |
H10 | C10 | N1 | C17 | 11.5° | 5.2° |
C12 | C11 | N1 | H111 | 125.3° | 121.4° |
C12 | C11 | N1 | H112 | 125.2° | 121.4° |
C12 | C11 | H111 | H112 | 114.6° | 117.4° |
C11 | C12 | H121 | H122 | 116.8° | 118.5° |
C12 | C11 | N1 | C17 | 141.5° | 140.8° |
N1 | C11 | H111 | H112 | 114.7° | 117.3° |
N1 | C11 | C12 | H121 | 173.0° | 164.4° |
N1 | C11 | C12 | H122 | 63.6° | 46.0° |
C11 | N1 | C17 | C18 | 74.8° | 65.0° |
C11 | N1 | C17 | H171 | 159.9° | 55.0° |
C11 | N1 | C17 | H172 | 50.5° | 175.0° |
H111 | C11 | C12 | H121 | 61.7° | 74.2° |
H111 | C11 | C12 | H122 | 171.1° | 167.4° |
H111 | C11 | N1 | C17 | 93.2° | 97.8° |
H112 | C11 | C12 | H121 | 47.8° | 43.0° |
H112 | C11 | C12 | H122 | 61.7° | 75.4° |
H112 | C11 | N1 | C17 | 16.2° | 19.4° |
O1 | C13 | C14 | C15 | 179.8° | 175.6° |
O2 | C16 | H161 | H162 | 125.3° | 120.0° |
O2 | C16 | H161 | H163 | 125.3° | 120.1° |
O2 | C16 | H162 | H163 | 115.9° | 120.0° |
H161 | C16 | H162 | H163 | 115.8° | 120.0° |
C18 | C17 | N1 | H171 | 125.3° | 120.0° |
C18 | C17 | N1 | H172 | 125.3° | 120.0° |
C18 | C17 | H171 | H172 | 117.4° | 120.0° |
C17 | C18 | C19 | H181 | 125.3° | 120.1° |
C17 | C18 | C19 | H182 | 125.2° | 120.0° |
C17 | C18 | H181 | H182 | 115.9° | 119.9° |
C17 | C18 | C19 | C20 | 62.0° | 180.0° |
C17 | C18 | C19 | H191 | 172.7° | 59.9° |
C17 | C18 | C19 | H192 | 63.3° | 60.0° |
N1 | C17 | H171 | H172 | 117.4° | 120.0° |
N1 | C17 | C18 | C19 | 50.1° | 180.0° |
N1 | C17 | C18 | H181 | 175.4° | 59.9° |
N1 | C17 | C18 | H182 | 75.1° | 60.0° |
H171 | C17 | C18 | C19 | 75.2° | 60.0° |
H171 | C17 | C18 | H181 | 50.1° | 180.0° |
H171 | C17 | C18 | H182 | 159.6° | 60.0° |
H172 | C17 | C18 | C19 | 175.4° | 60.0° |
H172 | C17 | C18 | H181 | 59.4° | 60.0° |
H172 | C17 | C18 | H182 | 50.1° | NaN° |
C19 | C18 | H181 | H182 | 115.9° | 120.0° |
C18 | C19 | C20 | H191 | 125.3° | 120.1° |
C18 | C19 | C20 | H192 | 125.3° | 120.0° |
C18 | C19 | H191 | H192 | 118.0° | 120.0° |
C18 | C19 | C20 | C21 | 178.9° | 180.0° |
C18 | C19 | C20 | H201 | 53.6° | 60.0° |
C18 | C19 | C20 | H202 | 55.9° | 60.0° |
H181 | C18 | C19 | C20 | 63.3° | 59.9° |
H181 | C18 | C19 | H191 | 62.0° | 180.0° |
H181 | C18 | C19 | H192 | 171.5° | 60.0° |
H182 | C18 | C19 | C20 | 172.7° | 60.0° |
H182 | C18 | C19 | H191 | 47.5° | 60.0° |
H182 | C18 | C19 | H192 | 62.0° | 180.0° |
C20 | C19 | H191 | H192 | 117.9° | 120.0° |
C19 | C20 | C21 | H201 | 125.3° | 120.0° |
C19 | C20 | C21 | H202 | 125.3° | 120.0° |
C19 | C20 | H201 | H202 | 117.7° | 120.0° |
C19 | C20 | C21 | C22 | 165.3° | 180.0° |
C19 | C20 | C21 | H211 | 69.5° | 59.9° |
C19 | C20 | C21 | H212 | 40.1° | 60.0° |
H191 | C19 | C20 | C21 | 55.9° | 59.9° |
H191 | C19 | C20 | H201 | 178.9° | 180.0° |
H191 | C19 | C20 | H202 | 69.4° | 60.0° |
H192 | C19 | C20 | C21 | 53.6° | 60.0° |
H192 | C19 | C20 | H201 | 71.7° | 60.0° |
H192 | C19 | C20 | H202 | 178.8° | 180.0° |
C21 | C20 | H201 | H202 | 117.7° | 120.0° |
C20 | C21 | C22 | H211 | 125.3° | 120.1° |
C20 | C21 | C22 | H212 | 125.3° | 120.0° |
C20 | C21 | H211 | H212 | 118.4° | 120.0° |
C20 | C21 | C22 | C23 | 80.6° | 180.0° |
C20 | C21 | C22 | H221 | 154.2° | 59.9° |
C20 | C21 | C22 | H222 | 44.7° | 60.0° |
H201 | C20 | C21 | C22 | 40.0° | 60.0° |
H201 | C20 | C21 | H211 | 165.3° | 180.0° |
H201 | C20 | C21 | H212 | 85.2° | 60.0° |
H202 | C20 | C21 | C22 | 69.4° | 60.0° |
H202 | C20 | C21 | H211 | 55.8° | 60.0° |
H202 | C20 | C21 | H212 | 165.3° | 180.0° |
C22 | C21 | H211 | H212 | 118.3° | 119.9° |
C21 | C22 | C23 | H221 | 125.3° | 120.0° |
C21 | C22 | C23 | H222 | 125.3° | 120.0° |
C21 | C22 | H221 | H222 | 118.2° | 119.9° |
C21 | C22 | C23 | C24 | 126.4° | 180.0° |
C21 | C22 | C23 | H231 | 1.2° | 60.0° |
C21 | C22 | C23 | H232 | 108.3° | 60.0° |
H211 | C21 | C22 | C23 | 44.7° | 60.0° |
H211 | C21 | C22 | H221 | 80.6° | 180.0° |
H211 | C21 | C22 | H222 | 170.0° | 60.1° |
H212 | C21 | C22 | C23 | 154.1° | 60.0° |
H212 | C21 | C22 | H221 | 28.9° | 60.1° |
H212 | C21 | C22 | H222 | 80.6° | NaN° |
C23 | C22 | H221 | H222 | 118.3° | 120.0° |
C22 | C23 | C24 | H231 | 125.2° | 119.9° |
C22 | C23 | C24 | H232 | 125.3° | 120.0° |
C22 | C23 | H231 | H232 | 121.7° | 120.0° |
C22 | C23 | C24 | N2 | 179.1° | 180.0° |
C22 | C23 | C24 | H241 | 53.8° | 60.0° |
C22 | C23 | C24 | H242 | 55.7° | 60.0° |
H221 | C22 | C23 | C24 | 108.3° | 60.0° |
H221 | C22 | C23 | H231 | 126.4° | 179.9° |
H221 | C22 | C23 | H232 | 16.9° | 60.0° |
H222 | C22 | C23 | C24 | 1.2° | 60.0° |
H222 | C22 | C23 | H231 | 124.1° | 59.9° |
H222 | C22 | C23 | H232 | 126.4° | 180.0° |
C24 | C23 | H231 | H232 | 121.6° | 120.0° |
C23 | C24 | N2 | H241 | 125.3° | 120.0° |
C23 | C24 | N2 | H242 | 125.3° | 120.0° |
C23 | C24 | H241 | H242 | 113.7° | 120.1° |
C23 | C24 | N2 | C25 | 107.7° | 90.0° |
C23 | C24 | N2 | C32 | 80.6° | 90.3° |
H231 | C23 | C24 | N2 | 55.7° | 60.0° |
H231 | C23 | C24 | H241 | 179.0° | 180.0° |
H231 | C23 | C24 | H242 | 69.6° | 59.9° |
H232 | C23 | C24 | N2 | 53.8° | 60.0° |
H232 | C23 | C24 | H241 | 71.5° | 60.0° |
H232 | C23 | C24 | H242 | 179.1° | 180.0° |
N2 | C24 | H241 | H242 | 113.7° | 119.9° |
C24 | N2 | C25 | C26 | 170.1° | 180.0° |
C24 | N2 | C25 | O25 | 13.7° | 0.0° |
C24 | N2 | C25 | C32 | 172.6° | 179.8° |
C24 | N2 | C32 | C31 | 170.5° | 179.9° |
C24 | N2 | C32 | O32 | 10.8° | 0.0° |
H241 | C24 | N2 | C25 | 127.0° | 30.1° |
H241 | C24 | N2 | C32 | 44.7° | 149.7° |
H242 | C24 | N2 | C25 | 17.5° | 150.0° |
H242 | C24 | N2 | C32 | 154.1° | 29.7° |
C26 | C25 | O25 | N2 | 175.5° | 180.0° |
C25 | C26 | C27 | C31 | 178.1° | 179.9° |
C25 | C26 | C27 | C28 | 177.7° | 180.0° |
C25 | C26 | C27 | H27 | 2.2° | 0.1° |
C25 | C26 | C31 | C30 | 178.6° | 180.0° |
C25 | C26 | C31 | C32 | 0.9° | 0.2° |
C26 | C25 | N2 | C32 | 2.5° | 0.2° |
O25 | C25 | C26 | C27 | 7.5° | 0.0° |
O25 | C25 | C26 | C31 | 174.2° | 180.0° |
O25 | C25 | N2 | C32 | 173.7° | 179.8° |
N2 | C25 | C26 | C27 | 176.2° | 180.0° |
N2 | C25 | C26 | C31 | 2.1° | 0.0° |
C25 | N2 | C32 | C31 | 1.9° | 0.4° |
C25 | N2 | C32 | O32 | 176.8° | 179.7° |
C26 | C27 | C28 | H27 | 180.0° | 179.9° |
C26 | C27 | C28 | C29 | 0.3° | 0.1° |
C26 | C27 | C28 | H28 | 179.7° | 180.0° |
C27 | C26 | C31 | C30 | 0.1° | 0.1° |
C27 | C26 | C31 | C32 | 177.5° | 179.8° |
C31 | C26 | C27 | C28 | 0.3° | 0.1° |
C31 | C26 | C27 | H27 | 179.7° | 180.0° |
C26 | C31 | C30 | C29 | 0.5° | 0.0° |
C26 | C31 | C30 | C32 | 177.0° | 179.7° |
C26 | C31 | C30 | H30 | 179.5° | 180.0° |
C26 | C31 | C32 | O32 | 178.2° | 179.7° |
C26 | C31 | C32 | N2 | 0.5° | 0.4° |
C27 | C28 | C29 | H28 | 180.0° | 179.9° |
C27 | C28 | C29 | C30 | 0.1° | 0.0° |
C27 | C28 | C29 | H29 | 179.9° | 179.9° |
H27 | C27 | C28 | C29 | 179.7° | 180.0° |
H27 | C27 | C28 | H28 | 0.3° | 0.1° |
C28 | C29 | C30 | H29 | 180.0° | 179.9° |
C28 | C29 | C30 | C31 | 0.5° | 0.0° |
C28 | C29 | C30 | H30 | 179.5° | 180.0° |
H28 | C28 | C29 | C30 | 179.9° | 179.9° |
H28 | C28 | C29 | H29 | 0.1° | 0.0° |
C29 | C30 | C31 | H30 | 180.0° | 180.0° |
C29 | C30 | C31 | C32 | 176.5° | 179.7° |
H29 | C29 | C30 | C31 | 179.5° | 179.9° |
H29 | C29 | C30 | H30 | 0.5° | 0.1° |
C30 | C31 | C32 | O32 | 4.5° | 0.0° |
C30 | C31 | C32 | N2 | 176.8° | 179.9° |
H30 | C30 | C31 | C32 | 3.5° | 0.3° |
C31 | C32 | O32 | N2 | 178.5° | 179.9° |