214
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
C1 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
C1 | H1 | sing | 1.08Å | 1.10Å | |
C2 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
C3 | C4 | doub | 1.38Å | 1.44Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.10Å | |
C4 | C5 | sing | 1.38Å | 1.45Å | Aromatic |
C4 | C30 | sing | 1.51Å | 1.58Å | |
C5 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.10Å | |
C6 | H6 | sing | 1.08Å | 1.10Å | |
C10 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
C10 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
C10 | H10 | sing | 1.08Å | 1.10Å | |
C11 | C12 | sing | 1.38Å | 1.43Å | Aromatic |
C11 | C35 | sing | 1.51Å | 1.52Å | |
C12 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
C12 | H12 | sing | 1.08Å | 1.10Å | |
C13 | C14 | sing | 1.38Å | 1.42Å | Aromatic |
C13 | H13 | sing | 1.08Å | 1.10Å | |
C14 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
C14 | C52 | sing | 1.51Å | 1.51Å | |
C15 | H15 | sing | 1.08Å | 1.10Å | |
C20 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
C20 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
C20 | H20 | sing | 1.08Å | 1.10Å | |
C21 | C22 | sing | 1.38Å | 1.42Å | Aromatic |
C21 | C32 | sing | 1.51Å | 1.52Å | |
C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
C22 | H22 | sing | 1.08Å | 1.10Å | |
C23 | C24 | sing | 1.39Å | 1.41Å | Aromatic |
C23 | H23 | sing | 1.08Å | 1.10Å | |
C24 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
C24 | C68 | sing | 1.48Å | 1.47Å | Aromatic |
C25 | H25 | sing | 1.08Å | 1.10Å | |
C30 | N31 | sing | 1.46Å | 1.51Å | |
C30 | C32 | sing | 1.53Å | 1.58Å | |
C30 | C35 | sing | 1.53Å | 1.58Å | |
N31 | C43 | sing | 1.37Å | 1.43Å | Aromatic |
N31 | N47 | sing | 1.40Å | 1.36Å | Aromatic |
C32 | H321 | sing | 1.09Å | 1.11Å | |
C32 | H322 | sing | 1.09Å | 1.11Å | |
C35 | H351 | sing | 1.09Å | 1.11Å | |
C35 | H352 | sing | 1.09Å | 1.11Å | |
C40 | C41 | doub | 1.36Å | 1.41Å | Aromatic |
C40 | C45 | sing | 1.39Å | 1.42Å | Aromatic |
C40 | H40 | sing | 1.08Å | 1.10Å | |
C41 | C42 | sing | 1.40Å | 1.38Å | Aromatic |
C41 | H41 | sing | 1.08Å | 1.10Å | |
C42 | C43 | doub | 1.41Å | 1.44Å | Aromatic |
C42 | N46 | sing | 1.35Å | 1.37Å | Aromatic |
C43 | C44 | sing | 1.39Å | 1.41Å | Aromatic |
C44 | C45 | doub | 1.38Å | 1.41Å | Aromatic |
C44 | H44 | sing | 1.08Å | 1.10Å | |
C45 | H45 | sing | 1.08Å | 1.10Å | |
N46 | N47 | doub | 1.29Å | 1.33Å | Aromatic |
C52 | F53 | sing | 1.40Å | 1.35Å | |
C52 | F54 | sing | 1.40Å | 1.36Å | |
C52 | P55 | sing | 1.82Å | 1.82Å | |
P55 | O56 | sing | 1.61Å | 1.53Å | |
P55 | O57 | sing | 1.61Å | 1.44Å | |
P55 | O58 | doub | 1.48Å | 1.51Å | |
O56 | H56 | sing | 0.97Å | 0.95Å | |
O57 | H57 | sing | 0.97Å | 0.95Å | |
C61 | C64 | doub | 1.40Å | 1.44Å | Aromatic |
C61 | C68 | sing | 1.38Å | 1.42Å | Aromatic |
C61 | H61 | sing | 1.08Å | 1.10Å | |
C62 | C63 | doub | 1.37Å | 1.42Å | Aromatic |
C62 | C67 | sing | 1.39Å | 1.41Å | Aromatic |
C62 | H62 | sing | 1.08Å | 1.10Å | |
C71 | C67 | sing | 1.51Å | 1.51Å | |
C71 | H711 | sing | 1.09Å | 1.11Å | |
C71 | H712 | sing | 1.09Å | 1.11Å | |
C71 | H713 | sing | 1.09Å | 1.11Å | |
C63 | C64 | sing | 1.41Å | 1.44Å | Aromatic |
C63 | H63 | sing | 1.08Å | 1.10Å | |
C64 | C65 | sing | 1.42Å | 1.46Å | Aromatic |
C65 | N66 | sing | 1.34Å | 1.39Å | Aromatic |
C65 | C70 | doub | 1.41Å | 1.41Å | Aromatic |
N66 | C67 | doub | 1.31Å | 1.34Å | Aromatic |
C68 | C69 | doub | 1.40Å | 1.44Å | Aromatic |
C69 | C70 | sing | 1.36Å | 1.40Å | Aromatic |
C69 | H69 | sing | 1.08Å | 1.10Å | |
C70 | P79 | sing | 1.81Å | 1.81Å | |
P79 | O80 | sing | 1.61Å | 1.53Å | |
P79 | O81 | sing | 1.61Å | 1.46Å | |
P79 | O82 | doub | 1.48Å | 1.53Å | |
O80 | H80 | sing | 0.97Å | 0.95Å | |
O81 | H81 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | C6 | 120.9° | 120.0° |
C2 | C1 | H1 | 119.5° | 120.0° |
C1 | C2 | C3 | 121.1° | 120.0° |
C1 | C2 | H2 | 119.3° | 120.0° |
C6 | C1 | H1 | 119.6° | 120.0° |
C1 | C6 | C5 | 118.7° | 120.0° |
C1 | C6 | H6 | 120.3° | 120.0° |
C3 | C2 | H2 | 119.7° | 120.0° |
C2 | C3 | C4 | 120.2° | 120.0° |
C2 | C3 | H3 | 118.9° | 120.0° |
C4 | C3 | H3 | 120.9° | 120.0° |
C3 | C4 | C5 | 117.1° | 120.0° |
C3 | C4 | C30 | 121.9° | 120.0° |
C5 | C4 | C30 | 121.0° | 120.0° |
C4 | C5 | C6 | 122.1° | 120.0° |
C4 | C5 | H5 | 120.1° | 120.0° |
C4 | C30 | N31 | 108.9° | 109.5° |
C4 | C30 | C32 | 108.1° | 109.5° |
C4 | C30 | C35 | 107.1° | 109.5° |
C6 | C5 | H5 | 117.8° | 120.0° |
C5 | C6 | H6 | 120.9° | 120.0° |
C11 | C10 | C15 | 121.4° | 120.0° |
C11 | C10 | H10 | 120.2° | 120.0° |
C10 | C11 | C12 | 118.2° | 120.0° |
C10 | C11 | C35 | 122.0° | 120.0° |
C15 | C10 | H10 | 118.4° | 120.0° |
C10 | C15 | C14 | 120.7° | 120.0° |
C10 | C15 | H15 | 118.6° | 120.0° |
C12 | C11 | C35 | 119.8° | 120.0° |
C11 | C12 | C13 | 120.8° | 120.0° |
C11 | C12 | H12 | 120.6° | 120.0° |
C11 | C35 | C30 | 119.1° | 109.5° |
C11 | C35 | H351 | 108.8° | 109.5° |
C11 | C35 | H352 | 108.7° | 109.5° |
C13 | C12 | H12 | 118.6° | 120.0° |
C12 | C13 | C14 | 119.5° | 120.0° |
C12 | C13 | H13 | 119.8° | 120.0° |
C14 | C13 | H13 | 120.7° | 120.0° |
C13 | C14 | C15 | 119.5° | 120.0° |
C13 | C14 | C52 | 122.1° | 120.0° |
C15 | C14 | C52 | 118.4° | 120.0° |
C14 | C15 | H15 | 120.7° | 120.0° |
C14 | C52 | F53 | 110.7° | 109.5° |
C14 | C52 | F54 | 109.2° | 109.5° |
C14 | C52 | P55 | 110.9° | 109.5° |
C21 | C20 | C25 | 121.4° | 120.1° |
C21 | C20 | H20 | 119.6° | 120.0° |
C20 | C21 | C22 | 117.3° | 120.3° |
C20 | C21 | C32 | 123.0° | 119.8° |
C25 | C20 | H20 | 119.0° | 119.9° |
C20 | C25 | C24 | 120.7° | 119.9° |
C20 | C25 | H25 | 119.6° | 120.1° |
C22 | C21 | C32 | 119.7° | 119.9° |
C21 | C22 | C23 | 121.1° | 120.1° |
C21 | C22 | H22 | 120.4° | 120.0° |
C21 | C32 | C30 | 121.0° | 109.5° |
C21 | C32 | H321 | 108.1° | 109.5° |
C21 | C32 | H322 | 108.1° | 109.5° |
C23 | C22 | H22 | 118.4° | 119.9° |
C22 | C23 | C24 | 121.6° | 119.9° |
C22 | C23 | H23 | 118.6° | 120.0° |
C24 | C23 | H23 | 119.9° | 120.1° |
C23 | C24 | C25 | 117.9° | 119.8° |
C23 | C24 | C68 | 126.4° | 120.1° |
C25 | C24 | C68 | 115.6° | 120.1° |
C24 | C25 | H25 | 119.7° | 120.1° |
C24 | C68 | C61 | 123.8° | 119.8° |
C24 | C68 | C69 | 115.2° | 119.7° |
N31 | C30 | C32 | 110.3° | 109.5° |
N31 | C30 | C35 | 110.8° | 109.5° |
C30 | N31 | C43 | 127.1° | 126.8° |
C30 | N31 | N47 | 118.3° | 126.7° |
C32 | C30 | C35 | 111.5° | 109.4° |
C30 | C32 | H321 | 108.1° | 109.5° |
C30 | C32 | H322 | 108.1° | 109.4° |
C30 | C35 | H351 | 108.8° | 109.5° |
C30 | C35 | H352 | 108.8° | 109.5° |
C43 | N31 | N47 | 114.6° | 106.5° |
N31 | C43 | C42 | 102.7° | 106.1° |
N31 | C43 | C44 | 138.8° | 134.0° |
N31 | N47 | N46 | 100.6° | 109.4° |
H321 | C32 | H322 | 101.8° | 109.4° |
H351 | C35 | H352 | 101.3° | 109.4° |
C41 | C40 | C45 | 120.1° | 120.8° |
C41 | C40 | H40 | 119.6° | 119.6° |
C40 | C41 | C42 | 119.7° | 119.9° |
C40 | C41 | H41 | 121.3° | 120.1° |
C45 | C40 | H40 | 120.3° | 119.6° |
C40 | C45 | C44 | 120.1° | 120.4° |
C40 | C45 | H45 | 120.2° | 119.8° |
C42 | C41 | H41 | 119.0° | 120.0° |
C41 | C42 | C43 | 121.6° | 119.3° |
C41 | C42 | N46 | 134.9° | 133.1° |
C43 | C42 | N46 | 103.5° | 107.7° |
C42 | C43 | C44 | 118.5° | 119.9° |
C42 | N46 | N47 | 118.6° | 110.3° |
C43 | C44 | C45 | 120.0° | 119.7° |
C43 | C44 | H44 | 119.8° | 120.1° |
C45 | C44 | H44 | 120.2° | 120.2° |
C44 | C45 | H45 | 119.7° | 119.8° |
F53 | C52 | F54 | 109.1° | 109.5° |
F53 | C52 | P55 | 108.7° | 109.5° |
F54 | C52 | P55 | 108.2° | 109.5° |
C52 | P55 | O56 | 109.1° | 109.5° |
C52 | P55 | O57 | 109.5° | 109.5° |
C52 | P55 | O58 | 106.6° | 109.5° |
O56 | P55 | O57 | 109.7° | 109.5° |
O56 | P55 | O58 | 109.7° | 109.5° |
P55 | O56 | H56 | 109.2° | 106.8° |
O57 | P55 | O58 | 112.1° | 109.5° |
P55 | O57 | H57 | 109.5° | 106.8° |
C64 | C61 | C68 | 118.8° | 119.5° |
C64 | C61 | H61 | 121.1° | 120.3° |
C61 | C64 | C63 | 123.5° | 121.3° |
C61 | C64 | C65 | 118.8° | 119.7° |
C68 | C61 | H61 | 120.1° | 120.3° |
C61 | C68 | C69 | 120.9° | 120.5° |
C63 | C62 | C67 | 118.1° | 119.9° |
C63 | C62 | H62 | 121.4° | 120.0° |
C62 | C63 | C64 | 121.0° | 118.2° |
C62 | C63 | H63 | 118.9° | 120.9° |
C67 | C62 | H62 | 120.5° | 120.0° |
C62 | C67 | C71 | 116.5° | 119.1° |
C62 | C67 | N66 | 121.5° | 121.7° |
C67 | C71 | H711 | 109.7° | 109.5° |
C67 | C71 | H712 | 116.5° | 109.5° |
C67 | C71 | H713 | 109.7° | 109.4° |
C71 | C67 | N66 | 122.0° | 119.1° |
H711 | C71 | H712 | 109.7° | 109.5° |
H711 | C71 | H713 | 100.5° | 109.5° |
H712 | C71 | H713 | 109.7° | 109.5° |
C64 | C63 | H63 | 120.1° | 121.0° |
C63 | C64 | C65 | 117.7° | 119.0° |
C64 | C65 | N66 | 117.9° | 119.7° |
C64 | C65 | C70 | 121.3° | 119.4° |
N66 | C65 | C70 | 120.8° | 120.9° |
C65 | N66 | C67 | 123.7° | 121.4° |
C65 | C70 | C69 | 119.3° | 120.1° |
C65 | C70 | P79 | 121.8° | 120.0° |
C68 | C69 | C70 | 120.9° | 120.9° |
C68 | C69 | H69 | 120.7° | 119.6° |
C70 | C69 | H69 | 118.3° | 119.5° |
C69 | C70 | P79 | 119.0° | 120.0° |
C70 | P79 | O80 | 108.2° | 109.4° |
C70 | P79 | O81 | 113.3° | 109.5° |
C70 | P79 | O82 | 106.6° | 109.5° |
O80 | P79 | O81 | 109.7° | 109.5° |
O80 | P79 | O82 | 107.5° | 109.5° |
P79 | O80 | H80 | 108.2° | 106.9° |
O81 | P79 | O82 | 111.3° | 109.5° |
P79 | O81 | H81 | 113.3° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | C6 | H1 | 180.0° | 179.9° |
C1 | C2 | C3 | H2 | 180.0° | 179.9° |
C1 | C2 | C3 | C4 | 0.2° | 0.0° |
C1 | C2 | C3 | H3 | 179.8° | 180.0° |
C2 | C1 | C6 | C5 | 0.2° | 0.2° |
C2 | C1 | C6 | H6 | 179.8° | 179.9° |
C6 | C1 | C2 | C3 | 0.2° | 0.0° |
C6 | C1 | C2 | H2 | 179.8° | 180.0° |
C1 | C6 | C5 | C4 | 0.1° | 0.4° |
C1 | C6 | C5 | H6 | 180.0° | 179.9° |
C1 | C6 | C5 | H5 | 179.9° | 180.0° |
H1 | C1 | C2 | C3 | 179.8° | 179.9° |
H1 | C1 | C2 | H2 | 0.2° | 0.0° |
H1 | C1 | C6 | C5 | 179.8° | 179.9° |
H1 | C1 | C6 | H6 | 0.2° | 0.0° |
C2 | C3 | C4 | H3 | 180.0° | 180.0° |
C2 | C3 | C4 | C5 | 0.1° | 0.3° |
C2 | C3 | C4 | C30 | 179.1° | 180.0° |
H2 | C2 | C3 | C4 | 179.8° | 179.9° |
H2 | C2 | C3 | H3 | 0.2° | 0.1° |
C3 | C4 | C5 | C30 | 179.0° | 179.7° |
C3 | C4 | C5 | C6 | 0.1° | 0.5° |
C3 | C4 | C5 | H5 | 179.9° | 180.0° |
C3 | C4 | C30 | N31 | 52.2° | 173.3° |
C3 | C4 | C30 | C32 | 172.1° | 53.3° |
C3 | C4 | C30 | C35 | 67.6° | 66.7° |
H3 | C3 | C4 | C5 | 179.9° | 179.7° |
H3 | C3 | C4 | C30 | 0.9° | 0.0° |
C4 | C5 | C6 | H5 | 180.0° | 179.5° |
C4 | C5 | C6 | H6 | 179.9° | 179.7° |
C5 | C4 | C30 | N31 | 128.8° | 6.4° |
C5 | C4 | C30 | C32 | 8.9° | 126.4° |
C5 | C4 | C30 | C35 | 111.3° | 113.6° |
C30 | C4 | C5 | C6 | 179.1° | 179.8° |
C30 | C4 | C5 | H5 | 0.9° | 0.2° |
C4 | C30 | C35 | C11 | 63.4° | 54.1° |
C4 | C30 | C32 | C21 | 179.1° | 175.4° |
C4 | C30 | N31 | C32 | 118.5° | 120.0° |
C4 | C30 | N31 | C35 | 117.6° | 120.0° |
C4 | C30 | C32 | C35 | 117.5° | 120.0° |
C4 | C30 | N31 | C43 | 43.9° | 63.3° |
C4 | C30 | N31 | N47 | 137.0° | 116.4° |
C4 | C30 | C32 | H321 | 55.7° | 64.6° |
C4 | C30 | C32 | H322 | 53.8° | 55.4° |
C4 | C30 | C35 | H351 | 61.9° | 174.2° |
C4 | C30 | C35 | H352 | 171.4° | 65.8° |
H5 | C5 | C6 | H6 | 0.1° | 0.2° |
C11 | C10 | C15 | H10 | 180.0° | 179.9° |
C10 | C11 | C12 | C35 | 179.1° | 179.7° |
C10 | C11 | C12 | C13 | 0.8° | 0.5° |
C10 | C11 | C12 | H12 | 179.2° | 179.9° |
C11 | C10 | C15 | C14 | 0.2° | 0.1° |
C11 | C10 | C15 | H15 | 179.8° | 179.9° |
C10 | C11 | C35 | C30 | 96.4° | 97.8° |
C10 | C11 | C35 | H351 | 138.3° | 22.2° |
C10 | C11 | C35 | H352 | 28.8° | 142.2° |
C15 | C10 | C11 | C12 | 0.7° | 0.3° |
C15 | C10 | C11 | C35 | 178.4° | 180.0° |
C10 | C15 | C14 | C13 | 0.3° | 0.0° |
C10 | C15 | C14 | H15 | 180.0° | 180.0° |
C10 | C15 | C14 | C52 | 178.3° | 180.0° |
H10 | C10 | C11 | C12 | 179.3° | 179.7° |
H10 | C10 | C11 | C35 | 1.6° | 0.1° |
H10 | C10 | C15 | C14 | 179.8° | 180.0° |
H10 | C10 | C15 | H15 | 0.2° | 0.0° |
C11 | C12 | C13 | H12 | 180.0° | 179.6° |
C11 | C12 | C13 | C14 | 0.3° | 0.4° |
C11 | C12 | C13 | H13 | 179.7° | 179.7° |
C12 | C11 | C35 | C30 | 82.7° | 82.5° |
C12 | C11 | C35 | H351 | 42.6° | 157.4° |
C12 | C11 | C35 | H352 | 152.1° | 37.5° |
C35 | C11 | C12 | C13 | 178.4° | 179.8° |
C35 | C11 | C12 | H12 | 1.6° | 0.2° |
C11 | C35 | C30 | N31 | 178.0° | 65.9° |
C11 | C35 | C30 | C32 | 54.6° | 174.1° |
C11 | C35 | C30 | H351 | 125.3° | 120.1° |
C11 | C35 | C30 | H352 | 125.2° | 120.0° |
C11 | C35 | H351 | H352 | 114.4° | 120.0° |
C12 | C13 | C14 | H13 | 180.0° | 179.9° |
C12 | C13 | C14 | C15 | 0.2° | 0.1° |
C12 | C13 | C14 | C52 | 178.3° | 179.8° |
H12 | C12 | C13 | C14 | 179.7° | 180.0° |
H12 | C12 | C13 | H13 | 0.3° | 0.1° |
C13 | C14 | C15 | C52 | 178.6° | 180.0° |
C13 | C14 | C15 | H15 | 179.7° | 180.0° |
C13 | C14 | C52 | F53 | 22.9° | 35.0° |
C13 | C14 | C52 | F54 | 143.1° | 155.0° |
C13 | C14 | C52 | P55 | 97.8° | 85.0° |
H13 | C13 | C14 | C15 | 179.8° | 179.9° |
H13 | C13 | C14 | C52 | 1.7° | 0.1° |
C15 | C14 | C52 | F53 | 155.6° | 145.0° |
C15 | C14 | C52 | F54 | 35.5° | 25.0° |
C15 | C14 | C52 | P55 | 83.6° | 95.0° |
C52 | C14 | C15 | H15 | 1.7° | 0.0° |
C14 | C52 | F53 | F54 | 120.2° | 120.0° |
C14 | C52 | F53 | P55 | 122.1° | 120.0° |
C14 | C52 | F54 | P55 | 120.8° | 120.0° |
C14 | C52 | P55 | O56 | 58.6° | 55.0° |
C14 | C52 | P55 | O57 | 61.5° | 64.9° |
C14 | C52 | P55 | O58 | 177.0° | 175.0° |
C21 | C20 | C25 | H20 | 180.0° | 179.8° |
C20 | C21 | C22 | C32 | 179.9° | 180.0° |
C20 | C21 | C22 | C23 | 0.4° | 0.0° |
C20 | C21 | C22 | H22 | 179.5° | 180.0° |
C21 | C20 | C25 | C24 | 0.2° | 0.5° |
C21 | C20 | C25 | H25 | 179.7° | 180.0° |
C20 | C21 | C32 | C30 | 55.0° | 85.1° |
C20 | C21 | C32 | H321 | 70.2° | 34.9° |
C20 | C21 | C32 | H322 | 179.7° | 154.9° |
C25 | C20 | C21 | C22 | 0.5° | 0.3° |
C25 | C20 | C21 | C32 | 179.5° | 179.8° |
C20 | C25 | C24 | C23 | 0.0° | 0.4° |
C20 | C25 | C24 | H25 | 180.0° | 179.5° |
C20 | C25 | C24 | C68 | 178.8° | 179.7° |
H20 | C20 | C21 | C22 | 179.5° | 180.0° |
H20 | C20 | C21 | C32 | 0.5° | 0.0° |
H20 | C20 | C25 | C24 | 179.8° | 179.8° |
H20 | C20 | C25 | H25 | 0.2° | 0.2° |
C21 | C22 | C23 | H22 | 180.0° | 180.0° |
C21 | C22 | C23 | C24 | 0.2° | 0.1° |
C21 | C22 | C23 | H23 | 179.8° | 180.0° |
C22 | C21 | C32 | C30 | 125.0° | 94.9° |
C22 | C21 | C32 | H321 | 109.7° | 145.1° |
C22 | C21 | C32 | H322 | 0.2° | 25.1° |
C32 | C21 | C22 | C23 | 179.5° | 179.9° |
C32 | C21 | C22 | H22 | 0.5° | 0.0° |
C21 | C32 | C30 | N31 | 61.9° | 55.4° |
C21 | C32 | C30 | H321 | 125.2° | 120.1° |
C21 | C32 | C30 | H322 | 125.3° | 120.0° |
C21 | C32 | C30 | C35 | 61.7° | 64.6° |
C21 | C32 | H321 | H322 | 113.7° | 120.0° |
C22 | C23 | C24 | H23 | 180.0° | 179.9° |
C22 | C23 | C24 | C25 | 0.1° | 0.1° |
C22 | C23 | C24 | C68 | 178.7° | 180.0° |
H22 | C22 | C23 | C24 | 179.8° | 180.0° |
H22 | C22 | C23 | H23 | 0.2° | 0.1° |
C23 | C24 | C25 | C68 | 178.9° | 179.9° |
C23 | C24 | C25 | H25 | 180.0° | 179.9° |
C23 | C24 | C68 | C61 | 149.1° | 35.5° |
C23 | C24 | C68 | C69 | 31.5° | 144.5° |
H23 | C23 | C24 | C25 | 179.9° | 179.8° |
H23 | C23 | C24 | C68 | 1.3° | 0.1° |
C25 | C24 | C68 | C61 | 32.1° | 144.7° |
C25 | C24 | C68 | C69 | 147.2° | 35.4° |
C68 | C24 | C25 | H25 | 1.2° | 0.2° |
C24 | C68 | C61 | C64 | 179.7° | 179.9° |
C24 | C68 | C61 | C69 | 179.3° | 179.9° |
C24 | C68 | C61 | H61 | 0.3° | 0.1° |
C24 | C68 | C69 | C70 | 179.8° | 179.9° |
C24 | C68 | C69 | H69 | 0.2° | 0.1° |
N31 | C30 | C32 | C35 | 123.6° | 120.0° |
C30 | N31 | C43 | N47 | 179.1° | 179.8° |
N31 | C30 | C32 | H321 | 63.3° | 175.4° |
N31 | C30 | C32 | H322 | 172.8° | 64.6° |
N31 | C30 | C35 | H351 | 56.8° | 54.2° |
N31 | C30 | C35 | H352 | 52.7° | 174.1° |
C30 | N31 | C43 | C42 | 179.9° | 179.9° |
C30 | N31 | C43 | C44 | 1.3° | 0.7° |
C30 | N31 | N47 | N46 | 179.8° | 180.0° |
C32 | C30 | N31 | C43 | 74.6° | 56.7° |
C32 | C30 | N31 | N47 | 104.5° | 123.6° |
C30 | C32 | H321 | H322 | 113.7° | 119.9° |
C32 | C30 | C35 | H351 | 179.9° | 65.8° |
C32 | C30 | C35 | H352 | 70.6° | 54.2° |
C35 | C30 | N31 | C43 | 161.5° | 176.7° |
C35 | C30 | N31 | N47 | 19.4° | 3.6° |
C35 | C30 | C32 | H321 | 173.1° | 55.5° |
C35 | C30 | C32 | H322 | 63.6° | 175.4° |
C30 | C35 | H351 | H352 | 114.5° | 120.0° |
N31 | C43 | C42 | C41 | 179.8° | 179.9° |
N31 | C43 | C42 | C44 | 179.0° | 179.4° |
N31 | C43 | C42 | N46 | 0.7° | 0.4° |
N31 | C43 | C44 | C45 | 179.2° | 179.7° |
N31 | C43 | C44 | H44 | 0.8° | 0.6° |
C43 | N31 | N47 | N46 | 0.6° | 0.2° |
N47 | N31 | C43 | C42 | 0.8° | 0.3° |
N31 | N47 | N46 | C42 | 0.1° | 0.0° |
N47 | N31 | C43 | C44 | 179.5° | 179.6° |
C41 | C40 | C45 | H40 | 180.0° | 179.9° |
C40 | C41 | C42 | H41 | 180.0° | 179.9° |
C40 | C41 | C42 | C43 | 0.7° | 0.3° |
C40 | C41 | C42 | N46 | 180.0° | 179.9° |
C41 | C40 | C45 | C44 | 0.3° | 0.0° |
C41 | C40 | C45 | H45 | 179.7° | 180.0° |
C45 | C40 | C41 | C42 | 0.4° | 0.0° |
C45 | C40 | C41 | H41 | 179.6° | 179.9° |
C40 | C45 | C44 | C43 | 0.4° | 0.2° |
C40 | C45 | C44 | H45 | 180.0° | 180.0° |
C40 | C45 | C44 | H44 | 179.7° | 180.0° |
H40 | C40 | C41 | C42 | 179.6° | 179.9° |
H40 | C40 | C41 | H41 | 0.4° | 0.0° |
H40 | C40 | C45 | C44 | 179.7° | 180.0° |
H40 | C40 | C45 | H45 | 0.3° | 0.1° |
C41 | C42 | C43 | N46 | 179.5° | 179.7° |
C41 | C42 | C43 | C44 | 0.8° | 0.5° |
C41 | C42 | N46 | N47 | 179.8° | 179.9° |
H41 | C41 | C42 | C43 | 179.3° | 179.8° |
H41 | C41 | C42 | N46 | 0.0° | 0.2° |
C42 | C43 | C44 | C45 | 0.6° | 0.5° |
C42 | C43 | C44 | H44 | 179.4° | 179.8° |
C43 | C42 | N46 | N47 | 0.4° | 0.2° |
N46 | C42 | C43 | C44 | 179.7° | 179.7° |
C43 | C44 | C45 | H44 | 180.0° | 179.7° |
C43 | C44 | C45 | H45 | 179.6° | 179.8° |
H44 | C44 | C45 | H45 | 0.4° | 0.0° |
F53 | C52 | F54 | P55 | 118.1° | 120.0° |
F53 | C52 | P55 | O56 | 179.5° | 175.0° |
F53 | C52 | P55 | O57 | 60.4° | 55.1° |
F53 | C52 | P55 | O58 | 61.1° | 64.9° |
F54 | C52 | P55 | O56 | 61.2° | 65.0° |
F54 | C52 | P55 | O57 | 178.7° | 175.1° |
F54 | C52 | P55 | O58 | 57.2° | 55.0° |
C52 | P55 | O56 | O57 | 120.0° | 120.0° |
C52 | P55 | O56 | O58 | 116.4° | 120.0° |
C52 | P55 | O57 | O58 | 118.1° | 120.0° |
C52 | P55 | O56 | H56 | 180.0° | 59.9° |
C52 | P55 | O57 | H57 | 180.0° | 180.0° |
O56 | P55 | O57 | O58 | 122.2° | 120.0° |
O56 | P55 | O57 | H57 | 60.2° | 60.0° |
O57 | P55 | O56 | H56 | 60.0° | 60.0° |
O58 | P55 | O56 | H56 | 63.6° | 179.9° |
O58 | P55 | O57 | H57 | 61.9° | 60.0° |
C64 | C61 | C68 | H61 | 180.0° | 180.0° |
C61 | C64 | C63 | C62 | 179.1° | 180.0° |
C61 | C64 | C63 | C65 | 179.8° | 180.0° |
C61 | C64 | C63 | H63 | 0.9° | 0.0° |
C61 | C64 | C65 | N66 | 179.1° | 179.7° |
C61 | C64 | C65 | C70 | 0.5° | 0.0° |
C64 | C61 | C68 | C69 | 1.0° | 0.0° |
C68 | C61 | C64 | C63 | 179.9° | 180.0° |
C68 | C61 | C64 | C65 | 0.3° | 0.0° |
C61 | C68 | C69 | C70 | 0.9° | 0.0° |
C61 | C68 | C69 | H69 | 179.1° | 180.0° |
H61 | C61 | C64 | C63 | 0.1° | 0.0° |
H61 | C61 | C64 | C65 | 179.7° | 180.0° |
H61 | C61 | C68 | C69 | 179.0° | 180.0° |
C63 | C62 | C67 | H62 | 180.0° | 180.0° |
C63 | C62 | C67 | C71 | 179.3° | 180.0° |
C62 | C63 | C64 | H63 | 180.0° | 180.0° |
C62 | C63 | C64 | C65 | 1.2° | 0.1° |
C63 | C62 | C67 | N66 | 0.6° | 0.2° |
C62 | C67 | C71 | N66 | 179.8° | 179.8° |
C62 | C67 | C71 | H711 | 54.7° | 90.0° |
C62 | C67 | C71 | H712 | 180.0° | 150.0° |
C62 | C67 | C71 | H713 | 54.8° | 30.0° |
C67 | C62 | C63 | C64 | 0.4° | 0.0° |
C67 | C62 | C63 | H63 | 179.6° | 180.0° |
C62 | C67 | N66 | C65 | 0.6° | 0.5° |
H62 | C62 | C67 | C71 | 0.8° | 0.0° |
H62 | C62 | C63 | C64 | 179.7° | 180.0° |
H62 | C62 | C63 | H63 | 0.3° | 0.0° |
H62 | C62 | C67 | N66 | 179.4° | 179.8° |
C67 | C71 | H711 | H712 | 129.1° | 120.0° |
C67 | C71 | H711 | H713 | 115.4° | 120.0° |
C67 | C71 | H712 | H713 | 125.3° | 119.9° |
C71 | C67 | N66 | C65 | 179.2° | 179.7° |
H711 | C71 | H712 | H713 | 109.5° | 120.0° |
H711 | C71 | C67 | N66 | 125.5° | 90.2° |
H712 | C71 | C67 | N66 | 0.2° | 29.8° |
H713 | C71 | C67 | N66 | 125.1° | 149.8° |
C63 | C64 | C65 | N66 | 1.1° | 0.3° |
C63 | C64 | C65 | C70 | 179.3° | 180.0° |
H63 | C63 | C64 | C65 | 178.8° | 180.0° |
C64 | C65 | N66 | C70 | 179.6° | 179.7° |
C64 | C65 | N66 | C67 | 0.2° | 0.5° |
C64 | C65 | C70 | C69 | 0.6° | 0.0° |
C64 | C65 | C70 | P79 | 178.6° | 179.9° |
N66 | C65 | C70 | C69 | 179.0° | 179.8° |
N66 | C65 | C70 | P79 | 1.9° | 0.3° |
C70 | C65 | N66 | C67 | 179.8° | 179.8° |
C65 | C70 | C69 | C68 | 0.1° | 0.0° |
C65 | C70 | C69 | P79 | 179.2° | 179.9° |
C65 | C70 | C69 | H69 | 179.9° | 180.0° |
C65 | C70 | P79 | O80 | 15.6° | 90.0° |
C65 | C70 | P79 | O81 | 137.4° | 29.9° |
C65 | C70 | P79 | O82 | 99.8° | 149.9° |
C68 | C69 | C70 | H69 | 180.0° | 180.0° |
C68 | C69 | C70 | P79 | 179.3° | 179.9° |
C69 | C70 | P79 | O80 | 165.2° | 90.1° |
C69 | C70 | P79 | O81 | 43.4° | 150.0° |
C69 | C70 | P79 | O82 | 79.4° | 30.0° |
H69 | C69 | C70 | P79 | 0.7° | 0.1° |
C70 | P79 | O80 | O81 | 124.0° | 120.0° |
C70 | P79 | O80 | O82 | 114.8° | 120.0° |
C70 | P79 | O81 | O82 | 120.1° | 120.0° |
C70 | P79 | O80 | H80 | 180.0° | 60.0° |
C70 | P79 | O81 | H81 | 180.0° | 180.0° |
O80 | P79 | O81 | O82 | 118.8° | 120.0° |
O80 | P79 | O81 | H81 | 58.9° | 60.1° |
O81 | P79 | O80 | H80 | 55.9° | 60.0° |
O82 | P79 | O80 | H80 | 65.2° | 180.0° |
O82 | P79 | O81 | H81 | 59.9° | 60.0° |