K8P
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C5 | C4 | doub | 1.34Å | 1.33Å | |
O3C | C3 | doub | 1.21Å | 1.22Å | |
C4 | C3 | sing | 1.46Å | 1.48Å | |
C3 | C2 | sing | 1.51Å | 1.51Å | |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C2 | N2 | sing | 1.47Å | 1.48Å | |
N2 | C1' | sing | 1.47Å | 1.48Å | |
C3' | O4P | sing | 1.43Å | 1.43Å | |
C3' | C2' | sing | 1.53Å | 1.54Å | |
C1' | C2' | sing | 1.53Å | 1.54Å | |
C1' | O1' | sing | 1.43Å | 1.43Å | |
O4P | P | sing | 1.61Å | 1.62Å | |
O2P | P | doub | 1.48Å | 1.51Å | |
C2' | O' | sing | 1.43Å | 1.43Å | |
P | O3P | sing | 1.61Å | 1.51Å | |
P | O1P | sing | 1.61Å | 1.52Å | |
O1' | H1 | sing | 0.97Å | 0.95Å | |
C1' | H2 | sing | 1.09Å | 1.10Å | |
C2' | H3 | sing | 1.09Å | 1.10Å | |
O' | H4 | sing | 0.97Å | 0.95Å | |
C3' | H5 | sing | 1.09Å | 1.10Å | |
C3' | H6 | sing | 1.09Å | 1.10Å | |
O1P | H7 | sing | 0.97Å | 0.95Å | |
O3P | H8 | sing | 0.97Å | 0.95Å | |
N2 | H9 | sing | 1.01Å | 1.00Å | |
C2 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
C1 | H13 | sing | 1.09Å | 1.10Å | |
C1 | H14 | sing | 1.09Å | 1.10Å | |
C4 | H15 | sing | 1.08Å | 1.08Å | |
C5 | H16 | sing | 1.08Å | 1.08Å | |
C5 | H17 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C5 | C4 | C3 | 123.0° | 120.0° |
C5 | C4 | H15 | 118.5° | 119.9° |
C4 | C5 | H16 | 120.0° | 120.0° |
C4 | C5 | H17 | 120.0° | 120.0° |
O3C | C3 | C4 | 120.3° | 120.0° |
O3C | C3 | C2 | 119.2° | 120.0° |
C4 | C3 | C2 | 120.5° | 120.0° |
C3 | C4 | H15 | 118.5° | 120.1° |
C3 | C2 | C1 | 108.9° | 109.5° |
C3 | C2 | N2 | 110.2° | 109.5° |
C3 | C2 | H11 | 107.9° | 109.5° |
C1 | C2 | N2 | 113.7° | 109.5° |
C1 | C2 | H11 | 107.6° | 109.5° |
C2 | C1 | H12 | 109.5° | 109.4° |
C2 | C1 | H13 | 109.4° | 109.5° |
C2 | C1 | H14 | 109.4° | 109.5° |
C2 | N2 | C1' | 104.9° | 111.1° |
C2 | N2 | H9 | 110.6° | 111.0° |
N2 | C2 | H11 | 108.3° | 109.4° |
N2 | C1' | C2' | 115.0° | 109.5° |
N2 | C1' | O1' | 106.9° | 109.5° |
N2 | C1' | H2 | 108.1° | 109.4° |
C1' | N2 | H9 | 110.6° | 111.0° |
O4P | C3' | C2' | 109.8° | 109.5° |
C3' | O4P | P | 125.5° | 123.0° |
O4P | C3' | H5 | 109.4° | 109.5° |
O4P | C3' | H6 | 109.4° | 109.5° |
C3' | C2' | C1' | 115.2° | 109.5° |
C3' | C2' | O' | 110.0° | 109.5° |
C3' | C2' | H3 | 106.5° | 109.5° |
C2' | C3' | H5 | 109.4° | 109.4° |
C2' | C3' | H6 | 109.4° | 109.4° |
C2' | C1' | O1' | 110.4° | 109.5° |
C1' | C2' | O' | 110.6° | 109.4° |
C2' | C1' | H2 | 107.4° | 109.5° |
C1' | C2' | H3 | 106.4° | 109.5° |
C1' | O1' | H1 | 109.5° | 114.0° |
O1' | C1' | H2 | 108.8° | 109.4° |
O4P | P | O2P | 111.4° | 109.5° |
O4P | P | O3P | 111.1° | 109.4° |
O4P | P | O1P | 107.7° | 109.5° |
O2P | P | O3P | 109.5° | 109.5° |
O2P | P | O1P | 106.7° | 109.5° |
O' | C2' | H3 | 107.7° | 109.5° |
C2' | O' | H4 | 109.5° | 114.0° |
O3P | P | O1P | 110.3° | 109.5° |
P | O3P | H8 | 109.5° | 114.0° |
P | O1P | H7 | 109.5° | 114.0° |
H5 | C3' | H6 | 109.5° | 109.6° |
H12 | C1 | H13 | 109.4° | 109.4° |
H12 | C1 | H14 | 109.5° | 109.4° |
H13 | C1 | H14 | 109.5° | 109.5° |
H16 | C5 | H17 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C5 | C4 | C3 | O3C | 10.1° | 0.0° |
C5 | C4 | C3 | H15 | 180.0° | 180.0° |
C5 | C4 | C3 | C2 | 168.9° | 180.0° |
C4 | C5 | H16 | H17 | 180.0° | 179.9° |
O3C | C3 | C4 | C2 | 179.0° | 180.0° |
O3C | C3 | C2 | C1 | 26.0° | 105.1° |
O3C | C3 | C2 | N2 | 151.4° | 15.0° |
O3C | C3 | C2 | H11 | 90.6° | 134.9° |
O3C | C3 | C4 | H15 | 170.0° | 179.9° |
C4 | C3 | C2 | C1 | 155.0° | 75.0° |
C4 | C3 | C2 | N2 | 29.6° | 165.0° |
C4 | C3 | C2 | H11 | 88.4° | 45.0° |
C3 | C4 | C5 | H16 | 180.0° | 0.1° |
C3 | C4 | C5 | H17 | 0.0° | 180.0° |
C3 | C2 | C1 | N2 | 123.3° | 120.1° |
C3 | C2 | C1 | H11 | 116.8° | 120.0° |
C3 | C2 | N2 | H11 | 117.8° | 120.0° |
C3 | C2 | N2 | C1' | 135.9° | 155.0° |
C3 | C2 | N2 | H9 | 16.6° | 31.0° |
C3 | C2 | C1 | H12 | 180.0° | 60.0° |
C3 | C2 | C1 | H13 | 60.0° | 59.9° |
C3 | C2 | C1 | H14 | 60.0° | 179.9° |
C2 | C3 | C4 | H15 | 11.0° | 0.0° |
C1 | C2 | N2 | H11 | 119.6° | 120.0° |
C1 | C2 | N2 | C1' | 101.5° | 84.9° |
C1 | C2 | N2 | H9 | 139.2° | 151.0° |
C2 | C1 | H12 | H13 | 120.0° | 120.0° |
C2 | C1 | H12 | H14 | 120.0° | 120.0° |
C2 | C1 | H13 | H14 | 120.0° | 120.1° |
C2 | N2 | C1' | H9 | 119.3° | 124.0° |
C2 | N2 | C1' | C2' | 141.4° | 145.0° |
C2 | N2 | C1' | O1' | 95.6° | 94.9° |
C2 | N2 | C1' | H2 | 21.4° | 25.0° |
N2 | C2 | C1 | H12 | 56.7° | 60.0° |
N2 | C2 | C1 | H13 | 63.3° | 180.0° |
N2 | C2 | C1 | H14 | 176.8° | 59.9° |
N2 | C1' | C2' | C3' | 50.6° | 175.0° |
N2 | C1' | C2' | O1' | 121.1° | 120.0° |
N2 | C1' | C2' | H2 | 120.4° | 120.0° |
N2 | C1' | O1' | H2 | 116.5° | 119.9° |
N2 | C1' | C2' | O' | 74.9° | 55.0° |
N2 | C1' | O1' | H1 | 180.0° | 60.0° |
N2 | C1' | C2' | H3 | 168.4° | 65.0° |
C1' | N2 | C2 | H11 | 18.1° | 35.0° |
O4P | C3' | C2' | H5 | 120.0° | 120.0° |
O4P | C3' | C2' | H6 | 120.0° | 120.0° |
O4P | C3' | C2' | C1' | 102.0° | 175.0° |
C3' | O4P | P | O2P | 109.4° | 55.0° |
O4P | C3' | C2' | O' | 132.1° | 65.0° |
C3' | O4P | P | O3P | 12.9° | 65.0° |
C3' | O4P | P | O1P | 133.8° | 175.0° |
O4P | C3' | C2' | H3 | 15.7° | 55.0° |
O4P | C3' | H5 | H6 | 119.9° | 120.1° |
C3' | C2' | C1' | O' | 125.5° | 120.0° |
C3' | C2' | C1' | H3 | 117.7° | 120.0° |
C3' | C2' | C1' | O1' | 171.8° | 65.0° |
C2' | C3' | O4P | P | 101.3° | 180.0° |
C3' | C2' | O' | H3 | 115.6° | 120.0° |
C3' | C2' | C1' | H2 | 69.8° | 55.0° |
C3' | C2' | O' | H4 | 180.0° | 59.9° |
C2' | C3' | H5 | H6 | 119.9° | 120.0° |
C2' | C1' | O1' | H2 | 117.6° | 120.0° |
C1' | C2' | O' | H3 | 115.9° | 120.0° |
C2' | C1' | O1' | H1 | 54.2° | 60.0° |
C1' | C2' | O' | H4 | 51.5° | 60.1° |
C1' | C2' | C3' | H5 | 138.0° | 55.0° |
C1' | C2' | C3' | H6 | 18.1° | 65.0° |
C2' | C1' | N2 | H9 | 22.1° | 21.0° |
O1' | C1' | C2' | O' | 46.2° | 175.0° |
O1' | C1' | C2' | H3 | 70.5° | 55.0° |
O1' | C1' | N2 | H9 | 145.2° | 141.1° |
O4P | P | O2P | O3P | 123.3° | 120.0° |
O4P | P | O2P | O1P | 117.4° | 120.0° |
O4P | P | O3P | O1P | 119.4° | 120.0° |
P | O4P | C3' | H5 | 18.7° | 60.0° |
P | O4P | C3' | H6 | 138.6° | 60.1° |
O4P | P | O1P | H7 | 119.8° | 180.0° |
O4P | P | O3P | H8 | 123.5° | 60.1° |
O2P | P | O3P | O1P | 117.1° | 120.0° |
O2P | P | O1P | H7 | 0.0° | 60.0° |
O2P | P | O3P | H8 | 0.0° | 179.9° |
O' | C2' | C1' | H2 | 164.7° | 65.0° |
O' | C2' | C3' | H5 | 12.1° | 175.0° |
O' | C2' | C3' | H6 | 107.8° | 54.9° |
O3P | P | O1P | H7 | 118.8° | 60.0° |
O1P | P | O3P | H8 | 117.1° | 59.9° |
H1 | O1' | C1' | H2 | 63.5° | 179.9° |
H2 | C1' | C2' | H3 | 47.9° | 175.0° |
H2 | C1' | N2 | H9 | 97.9° | 99.0° |
H3 | C2' | O' | H4 | 64.4° | 179.9° |
H3 | C2' | C3' | H5 | 104.3° | 65.0° |
H3 | C2' | C3' | H6 | 135.7° | 174.9° |
H9 | N2 | C2 | H11 | 101.2° | 89.0° |
H11 | C2 | C1 | H12 | 63.3° | 179.9° |
H11 | C2 | C1 | H13 | 176.8° | 60.1° |
H11 | C2 | C1 | H14 | 56.8° | 60.1° |
H12 | C1 | H13 | H14 | 120.1° | 119.9° |
H15 | C4 | C5 | H16 | 0.0° | 180.0° |
H15 | C4 | C5 | H17 | 180.0° | 0.1° |