PNA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C1 | O1 | sing | 1.43Å | 1.41Å | |
C1 | O5 | sing | 1.43Å | 1.42Å | |
C1 | H1 | sing | 1.09Å | 1.11Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | O4 | sing | 1.43Å | 1.42Å | |
C4 | H4 | sing | 1.09Å | 1.12Å | |
C5 | C6 | sing | 1.53Å | 1.52Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
C5 | H5 | sing | 1.09Å | 1.11Å | |
C6 | O6 | sing | 1.43Å | 1.42Å | |
C6 | H61 | sing | 1.09Å | 1.11Å | |
C6 | H62 | sing | 1.09Å | 1.11Å | |
C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
C7 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
C7 | O1 | sing | 1.36Å | 1.44Å | |
C8 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
C9 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
C9 | H9 | sing | 1.08Å | 1.10Å | |
C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
C10 | N1 | sing | 1.48Å | 1.40Å | |
C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
C11 | H11 | sing | 1.08Å | 1.10Å | |
C12 | H12 | sing | 1.08Å | 1.10Å | |
N1 | O7 | doub | 1.22Å | 1.20Å | |
N1 | O8 | sing | 1.22Å | 1.20Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 109.7° | 109.4° |
C2 | C1 | O5 | 109.5° | 109.8° |
C2 | C1 | H1 | 110.4° | 109.4° |
C1 | C2 | C3 | 110.6° | 109.0° |
C1 | C2 | O2 | 109.5° | 109.6° |
C1 | C2 | H2 | 108.6° | 109.6° |
O1 | C1 | O5 | 112.9° | 109.4° |
O1 | C1 | H1 | 107.0° | 109.4° |
C1 | O1 | C7 | 121.1° | 106.8° |
O5 | C1 | H1 | 107.1° | 109.5° |
C1 | O5 | C5 | 114.5° | 107.6° |
C3 | C2 | O2 | 109.2° | 109.6° |
C3 | C2 | H2 | 108.9° | 109.5° |
C2 | C3 | C4 | 111.0° | 108.6° |
C2 | C3 | O3 | 109.4° | 109.6° |
C2 | C3 | H3 | 108.4° | 109.7° |
O2 | C2 | H2 | 109.9° | 109.5° |
C2 | O2 | HO2 | 109.6° | 106.8° |
C4 | C3 | O3 | 108.9° | 109.7° |
C4 | C3 | H3 | 108.8° | 109.7° |
C3 | C4 | C5 | 111.3° | 109.0° |
C3 | C4 | O4 | 109.2° | 109.6° |
C3 | C4 | H4 | 108.4° | 109.5° |
O3 | C3 | H3 | 110.4° | 109.6° |
C3 | O3 | HO3 | 109.4° | 106.8° |
C5 | C4 | O4 | 109.3° | 109.6° |
C5 | C4 | H4 | 108.3° | 109.6° |
C4 | C5 | C6 | 111.8° | 109.4° |
C4 | C5 | O5 | 110.4° | 109.8° |
C4 | C5 | H5 | 106.5° | 109.4° |
O4 | C4 | H4 | 110.4° | 109.6° |
C4 | O4 | HO4 | 109.2° | 106.8° |
C6 | C5 | O5 | 107.1° | 109.4° |
C6 | C5 | H5 | 109.8° | 109.4° |
C5 | C6 | O6 | 111.3° | 109.5° |
C5 | C6 | H61 | 111.6° | 109.5° |
C5 | C6 | H62 | 111.6° | 109.5° |
O5 | C5 | H5 | 111.3° | 109.4° |
O6 | C6 | H61 | 111.5° | 109.5° |
O6 | C6 | H62 | 111.5° | 109.5° |
C6 | O6 | HO6 | 111.3° | 106.8° |
H61 | C6 | H62 | 98.8° | 109.5° |
C8 | C7 | C12 | 118.6° | 119.9° |
C8 | C7 | O1 | 119.5° | 120.0° |
C7 | C8 | C9 | 121.0° | 119.9° |
C7 | C8 | H8 | 119.2° | 120.1° |
C12 | C7 | O1 | 121.9° | 120.1° |
C7 | C12 | C11 | 121.1° | 119.9° |
C7 | C12 | H12 | 119.4° | 120.0° |
C9 | C8 | H8 | 119.8° | 120.1° |
C8 | C9 | C10 | 119.8° | 120.1° |
C8 | C9 | H9 | 119.9° | 119.9° |
C10 | C9 | H9 | 120.3° | 120.0° |
C9 | C10 | C11 | 119.0° | 120.1° |
C9 | C10 | N1 | 123.1° | 120.0° |
C11 | C10 | N1 | 117.9° | 119.9° |
C10 | C11 | C12 | 120.4° | 120.0° |
C10 | C11 | H11 | 119.9° | 120.0° |
C10 | N1 | O7 | 123.5° | 120.0° |
C10 | N1 | O8 | 120.0° | 120.0° |
C12 | C11 | H11 | 119.7° | 120.0° |
C11 | C12 | H12 | 119.5° | 120.0° |
O7 | N1 | O8 | 116.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O5 | 122.5° | 120.3° |
C2 | C1 | O1 | H1 | 119.9° | 119.8° |
C2 | C1 | O5 | H1 | 119.8° | 120.1° |
C1 | C2 | C3 | O2 | 120.6° | 119.9° |
C1 | C2 | C3 | H2 | 119.3° | 119.9° |
C1 | C2 | O2 | H2 | 119.2° | 120.2° |
C1 | C2 | C3 | C4 | 52.7° | 53.8° |
C1 | C2 | C3 | O3 | 172.9° | 173.6° |
C1 | C2 | C3 | H3 | 66.7° | 66.1° |
C2 | C1 | O5 | C5 | 60.9° | 67.5° |
C2 | C1 | O1 | C7 | 177.9° | 174.0° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
O1 | C1 | O5 | H1 | 117.6° | 119.8° |
O1 | C1 | C2 | C3 | 67.9° | 58.8° |
O1 | C1 | C2 | O2 | 171.6° | 178.8° |
O1 | C1 | C2 | H2 | 51.5° | 61.1° |
O1 | C1 | O5 | C5 | 61.7° | 52.5° |
C1 | O1 | C7 | C8 | 177.5° | 5.7° |
C1 | O1 | C7 | C12 | 1.8° | 174.6° |
O5 | C1 | C2 | C3 | 56.6° | 61.2° |
O5 | C1 | C2 | O2 | 63.9° | 58.7° |
O5 | C1 | C2 | H2 | 176.0° | 178.9° |
C1 | O5 | C5 | C4 | 58.9° | 67.6° |
C1 | O5 | C5 | C6 | 179.1° | 172.3° |
C1 | O5 | C5 | H5 | 59.1° | 52.5° |
O5 | C1 | O1 | C7 | 59.6° | 65.7° |
H1 | C1 | C2 | C3 | 174.3° | 178.6° |
H1 | C1 | C2 | O2 | 53.9° | 61.4° |
H1 | C1 | C2 | H2 | 66.2° | 58.7° |
H1 | C1 | O5 | C5 | 179.2° | 172.3° |
H1 | C1 | O1 | C7 | 58.1° | 54.2° |
C3 | C2 | O2 | H2 | 119.5° | 120.2° |
C2 | C3 | C4 | O3 | 120.4° | 119.8° |
C2 | C3 | C4 | H3 | 119.2° | 119.8° |
C2 | C3 | O3 | H3 | 119.2° | 120.4° |
C2 | C3 | C4 | C5 | 50.7° | 53.8° |
C2 | C3 | C4 | O4 | 171.5° | 173.7° |
C2 | C3 | C4 | H4 | 68.2° | 66.1° |
C3 | C2 | O2 | HO2 | 58.7° | 179.6° |
C2 | C3 | O3 | HO3 | 180.0° | 60.1° |
O2 | C2 | C3 | C4 | 67.9° | 66.2° |
O2 | C2 | C3 | O3 | 52.3° | 53.7° |
O2 | C2 | C3 | H3 | 172.7° | 174.0° |
H2 | C2 | C3 | C4 | 172.0° | 173.7° |
H2 | C2 | C3 | O3 | 67.8° | 66.5° |
H2 | C2 | C3 | H3 | 52.6° | 53.8° |
H2 | C2 | O2 | HO2 | 60.8° | 60.2° |
C4 | C3 | O3 | H3 | 119.4° | 120.5° |
C3 | C4 | C5 | O4 | 120.7° | 119.9° |
C3 | C4 | C5 | H4 | 119.0° | 119.9° |
C3 | C4 | O4 | H4 | 119.0° | 120.2° |
C3 | C4 | C5 | C6 | 171.3° | 178.6° |
C3 | C4 | C5 | O5 | 52.2° | 61.3° |
C3 | C4 | C5 | H5 | 68.8° | 58.7° |
C4 | C3 | O3 | HO3 | 58.6° | 179.2° |
C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
O3 | C3 | C4 | C5 | 171.2° | 173.6° |
O3 | C3 | C4 | O4 | 68.0° | 66.6° |
O3 | C3 | C4 | H4 | 52.3° | 53.6° |
H3 | C3 | C4 | C5 | 68.4° | 66.0° |
H3 | C3 | C4 | O4 | 52.4° | 53.9° |
H3 | C3 | C4 | H4 | 172.6° | 174.1° |
H3 | C3 | O3 | HO3 | 60.9° | 60.3° |
C5 | C4 | O4 | H4 | 119.0° | 120.3° |
C4 | C5 | C6 | O5 | 121.1° | 120.3° |
C4 | C5 | C6 | H5 | 118.0° | 119.8° |
C4 | C5 | O5 | H5 | 118.0° | 120.1° |
C4 | C5 | C6 | O6 | 61.6° | 174.8° |
C4 | C5 | C6 | H61 | 173.2° | 65.2° |
C4 | C5 | C6 | H62 | 63.6° | 54.8° |
C5 | C4 | O4 | HO4 | 58.1° | 179.6° |
O4 | C4 | C5 | C6 | 68.0° | 58.7° |
O4 | C4 | C5 | O5 | 172.9° | 178.8° |
O4 | C4 | C5 | H5 | 51.9° | 61.1° |
H4 | C4 | C5 | C6 | 52.3° | 61.6° |
H4 | C4 | C5 | O5 | 66.8° | 58.5° |
H4 | C4 | C5 | H5 | 172.2° | 178.6° |
H4 | C4 | O4 | HO4 | 60.9° | 60.1° |
C6 | C5 | O5 | H5 | 120.0° | 119.9° |
C5 | C6 | O6 | H61 | 125.3° | 120.0° |
C5 | C6 | O6 | H62 | 125.3° | 120.0° |
C5 | C6 | H61 | H62 | 117.5° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
O5 | C5 | C6 | O6 | 59.5° | 64.9° |
O5 | C5 | C6 | H61 | 65.8° | 55.1° |
O5 | C5 | C6 | H62 | 175.3° | 175.2° |
H5 | C5 | C6 | O6 | 179.6° | 55.0° |
H5 | C5 | C6 | H61 | 55.2° | 175.0° |
H5 | C5 | C6 | H62 | 54.3° | 65.0° |
O6 | C6 | H61 | H62 | 117.4° | 120.0° |
H61 | C6 | O6 | HO6 | 54.7° | 60.0° |
H62 | C6 | O6 | HO6 | 54.7° | 60.0° |
C8 | C7 | C12 | O1 | 179.2° | 179.6° |
C7 | C8 | C9 | H8 | 180.0° | 179.9° |
C7 | C8 | C9 | C10 | 0.1° | 0.0° |
C7 | C8 | C9 | H9 | 180.0° | 180.0° |
C8 | C7 | C12 | C11 | 0.1° | 0.6° |
C8 | C7 | C12 | H12 | 179.9° | 179.9° |
C12 | C7 | C8 | C9 | 0.1° | 0.3° |
C12 | C7 | C8 | H8 | 179.9° | 179.8° |
C7 | C12 | C11 | C10 | 0.1° | 0.5° |
C7 | C12 | C11 | H12 | 180.0° | 179.5° |
C7 | C12 | C11 | H11 | 179.9° | 179.7° |
O1 | C7 | C8 | C9 | 179.3° | 180.0° |
O1 | C7 | C8 | H8 | 0.7° | 0.1° |
O1 | C7 | C12 | C11 | 179.3° | 179.8° |
O1 | C7 | C12 | H12 | 0.7° | 0.3° |
C8 | C9 | C10 | H9 | 180.0° | 180.0° |
C8 | C9 | C10 | C11 | 0.1° | 0.0° |
C8 | C9 | C10 | N1 | 179.5° | 180.0° |
H8 | C8 | C9 | C10 | 179.9° | 179.9° |
H8 | C8 | C9 | H9 | 0.0° | 0.1° |
C9 | C10 | C11 | N1 | 179.4° | 180.0° |
C9 | C10 | C11 | C12 | 0.1° | 0.2° |
C9 | C10 | C11 | H11 | 179.9° | 180.0° |
C9 | C10 | N1 | O7 | 40.8° | 0.0° |
C9 | C10 | N1 | O8 | 139.3° | 180.0° |
H9 | C9 | C10 | C11 | 179.9° | 180.0° |
H9 | C9 | C10 | N1 | 0.5° | 0.0° |
C10 | C11 | C12 | H11 | 180.0° | 179.8° |
C10 | C11 | C12 | H12 | 179.9° | 180.0° |
C11 | C10 | N1 | O7 | 139.7° | 180.0° |
C11 | C10 | N1 | O8 | 40.2° | 0.0° |
N1 | C10 | C11 | C12 | 179.5° | 179.8° |
N1 | C10 | C11 | H11 | 0.5° | 0.0° |
C10 | N1 | O7 | O8 | 179.9° | 180.0° |
H11 | C11 | C12 | H12 | 0.1° | 0.2° |