C1Z
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O6 | C6 | doub | 1.22Å | 1.41Å | |
N7 | C5 | sing | 1.35Å | 1.54Å | Aromatic |
N7 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
C6 | C5 | sing | 1.47Å | 1.48Å | |
C6 | N1 | sing | 1.34Å | 1.48Å | |
O2A | PA | doub | 1.48Å | 1.47Å | |
C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
O1G | PG | doub | 1.48Å | 1.46Å | |
C8 | N9 | sing | 1.36Å | 1.22Å | Aromatic |
N1 | C2 | doub | 1.32Å | 1.32Å | |
O1A | PA | sing | 1.61Å | 1.47Å | |
O2G | PG | sing | 1.61Å | 1.46Å | |
PA | O3A | sing | 1.61Å | 1.68Å | |
PA | O5' | sing | 1.61Å | 1.68Å | |
N9 | C4 | sing | 1.36Å | 1.26Å | Aromatic |
N9 | C1' | sing | 1.47Å | 1.43Å | |
C4 | N3 | sing | 1.37Å | 1.44Å | |
PG | O3B | sing | 1.61Å | 1.66Å | |
PG | O3G | sing | 1.61Å | 1.46Å | |
O3A | PB | sing | 1.61Å | 1.67Å | |
C2 | N3 | sing | 1.36Å | 1.55Å | |
C2 | N2 | sing | 1.37Å | 1.47Å | |
O4' | C1' | sing | 1.44Å | 1.51Å | |
O4' | C4' | sing | 1.44Å | 1.51Å | |
O3B | PB | sing | 1.61Å | 1.64Å | |
C1' | C2' | sing | 1.54Å | 1.48Å | |
O5' | C5' | sing | 1.43Å | 1.43Å | |
PB | O1B | doub | 1.48Å | 1.46Å | |
PB | O2B | sing | 1.61Å | 1.45Å | |
C5' | C4' | sing | 1.53Å | 1.49Å | |
C4' | C3' | sing | 1.54Å | 1.45Å | |
C2' | C3' | sing | 1.55Å | 1.44Å | |
C2' | O2' | sing | 1.43Å | 1.48Å | |
C3' | O3' | sing | 1.43Å | 1.44Å | |
O1D | PD | doub | 1.48Å | 1.46Å | |
O3' | PC | sing | 1.61Å | 1.65Å | |
O2D | PD | sing | 1.61Å | 1.46Å | |
PD | O3C | sing | 1.61Å | 1.67Å | |
PD | O3D | sing | 1.61Å | 1.47Å | |
O3C | PC | sing | 1.61Å | 1.66Å | |
O1C | PC | doub | 1.48Å | 1.47Å | |
PC | O2C | sing | 1.61Å | 1.46Å | |
O2D | H2 | sing | 0.97Å | 0.95Å | |
O3D | H3 | sing | 0.97Å | 0.95Å | |
O2G | H4 | sing | 0.97Å | 0.95Å | |
O3G | H5 | sing | 0.97Å | 0.95Å | |
O2B | H6 | sing | 0.97Å | 0.95Å | |
O1A | H17 | sing | 0.97Å | 0.95Å | |
C5' | H7 | sing | 1.09Å | 1.10Å | |
C5' | H8 | sing | 1.09Å | 1.10Å | |
C4' | H9 | sing | 1.09Å | 1.10Å | |
C3' | H10 | sing | 1.09Å | 1.10Å | |
C2' | H11 | sing | 1.09Å | 1.10Å | |
O2' | H12 | sing | 0.97Å | 0.95Å | |
C1' | H13 | sing | 1.09Å | 1.10Å | |
C8 | H14 | sing | 1.08Å | 1.08Å | |
N2 | H15 | sing | 0.97Å | 1.00Å | |
N2 | H16 | sing | 0.97Å | 1.00Å | |
N3 | H1 | sing | 0.97Å | 1.00Å | |
O2C | H18 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O6 | C6 | C5 | 119.2° | 120.7° |
O6 | C6 | N1 | 121.3° | 120.7° |
C5 | N7 | C8 | 100.3° | 109.1° |
N7 | C5 | C6 | 133.0° | 134.5° |
N7 | C5 | C4 | 105.6° | 107.4° |
N7 | C8 | N9 | 110.4° | 109.5° |
N7 | C8 | H14 | 124.8° | 125.2° |
C5 | C6 | N1 | 119.5° | 118.6° |
C6 | C5 | C4 | 121.4° | 118.1° |
C6 | N1 | C2 | 119.9° | 121.4° |
O2A | PA | O1A | 100.0° | 109.5° |
O2A | PA | O3A | 115.2° | 109.5° |
O2A | PA | O5' | 112.5° | 109.5° |
C5 | C4 | N9 | 103.8° | 106.3° |
C5 | C4 | N3 | 119.3° | 118.9° |
O1G | PG | O2G | 104.7° | 109.5° |
O1G | PG | O3B | 115.1° | 109.5° |
O1G | PG | O3G | 104.0° | 109.4° |
C8 | N9 | C4 | 120.0° | 107.6° |
C8 | N9 | C1' | 118.5° | 126.2° |
N9 | C8 | H14 | 124.8° | 125.3° |
N1 | C2 | N3 | 121.4° | 122.5° |
N1 | C2 | N2 | 119.9° | 118.8° |
O1A | PA | O3A | 111.9° | 109.5° |
O1A | PA | O5' | 112.3° | 109.5° |
PA | O1A | H17 | 109.5° | 114.0° |
O2G | PG | O3B | 113.3° | 109.5° |
O2G | PG | O3G | 105.0° | 109.4° |
PG | O2G | H4 | 109.5° | 114.0° |
O3A | PA | O5' | 105.2° | 109.4° |
PA | O3A | PB | 120.4° | 134.0° |
PA | O5' | C5' | 118.3° | 122.9° |
C4 | N9 | C1' | 121.5° | 126.2° |
N9 | C4 | N3 | 136.9° | 134.7° |
N9 | C1' | O4' | 108.1° | 110.4° |
N9 | C1' | C2' | 115.6° | 110.3° |
N9 | C1' | H13 | 109.1° | 110.4° |
C4 | N3 | C2 | 118.5° | 120.5° |
C4 | N3 | H1 | 120.7° | 119.8° |
O3B | PG | O3G | 113.7° | 109.5° |
PG | O3B | PB | 120.0° | 134.0° |
PG | O3G | H5 | 109.5° | 114.0° |
O3A | PB | O3B | 108.2° | 109.5° |
O3A | PB | O1B | 113.3° | 109.5° |
O3A | PB | O2B | 111.1° | 109.4° |
N3 | C2 | N2 | 118.7° | 118.7° |
C2 | N3 | H1 | 120.7° | 119.7° |
C2 | N2 | H15 | 120.0° | 120.0° |
C2 | N2 | H16 | 120.0° | 120.0° |
C1' | O4' | C4' | 103.2° | 105.2° |
O4' | C1' | C2' | 107.3° | 104.8° |
O4' | C1' | H13 | 108.1° | 110.4° |
O4' | C4' | C5' | 113.3° | 110.4° |
O4' | C4' | C3' | 105.1° | 104.8° |
O4' | C4' | H9 | 109.5° | 110.5° |
O3B | PB | O1B | 112.3° | 109.5° |
O3B | PB | O2B | 110.5° | 109.5° |
C1' | C2' | C3' | 105.9° | 104.0° |
C1' | C2' | O2' | 109.0° | 110.5° |
C1' | C2' | H11 | 111.0° | 110.7° |
C2' | C1' | H13 | 108.5° | 110.4° |
O5' | C5' | C4' | 107.7° | 109.4° |
O5' | C5' | H7 | 109.9° | 109.5° |
O5' | C5' | H8 | 109.9° | 109.5° |
O1B | PB | O2B | 101.4° | 109.4° |
PB | O2B | H6 | 109.5° | 114.0° |
C5' | C4' | C3' | 108.9° | 110.4° |
C4' | C5' | H7 | 109.9° | 109.5° |
C4' | C5' | H8 | 109.9° | 109.5° |
C5' | C4' | H9 | 109.7° | 110.3° |
C4' | C3' | C2' | 105.6° | 104.1° |
C4' | C3' | O3' | 104.7° | 110.5° |
C3' | C4' | H9 | 110.3° | 110.3° |
C4' | C3' | H10 | 111.3° | 110.5° |
C3' | C2' | O2' | 108.0° | 110.5° |
C2' | C3' | O3' | 111.7° | 110.5° |
C2' | C3' | H10 | 111.6° | 110.6° |
C3' | C2' | H11 | 111.7° | 110.6° |
O2' | C2' | H11 | 111.1° | 110.5° |
C2' | O2' | H12 | 109.5° | 114.0° |
C3' | O3' | PC | 116.3° | 123.0° |
O3' | C3' | H10 | 111.6° | 110.5° |
O1D | PD | O2D | 104.3° | 109.5° |
O1D | PD | O3C | 114.8° | 109.5° |
O1D | PD | O3D | 103.8° | 109.5° |
O3' | PC | O3C | 107.3° | 109.4° |
O3' | PC | O1C | 109.5° | 109.5° |
O3' | PC | O2C | 110.3° | 109.5° |
O2D | PD | O3C | 113.6° | 109.5° |
O2D | PD | O3D | 104.9° | 109.5° |
PD | O2D | H2 | 109.5° | 114.0° |
O3C | PD | O3D | 114.3° | 109.5° |
PD | O3C | PC | 123.1° | 134.0° |
PD | O3D | H3 | 109.5° | 114.0° |
O3C | PC | O1C | 113.6° | 109.5° |
O3C | PC | O2C | 112.5° | 109.5° |
O1C | PC | O2C | 103.5° | 109.5° |
PC | O2C | H18 | 109.5° | 114.0° |
H7 | C5' | H8 | 109.5° | 109.5° |
H15 | N2 | H16 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O6 | C6 | C5 | N7 | 0.2° | 0.0° |
O6 | C6 | C5 | N1 | 180.0° | 180.0° |
O6 | C6 | C5 | C4 | 179.8° | 180.0° |
O6 | C6 | N1 | C2 | 179.9° | 180.0° |
N7 | C5 | C6 | C4 | 179.6° | 180.0° |
N7 | C5 | C6 | N1 | 179.8° | 180.0° |
C5 | N7 | C8 | N9 | 0.5° | 0.0° |
N7 | C5 | C4 | N9 | 0.6° | 0.0° |
N7 | C5 | C4 | N3 | 180.0° | 180.0° |
C5 | N7 | C8 | H14 | 179.5° | 180.0° |
C8 | N7 | C5 | C6 | 179.7° | 180.0° |
C8 | N7 | C5 | C4 | 0.1° | 0.0° |
N7 | C8 | N9 | H14 | 180.0° | 180.0° |
N7 | C8 | N9 | C4 | 1.1° | 0.0° |
N7 | C8 | N9 | C1' | 179.1° | 179.7° |
C5 | C6 | N1 | C2 | 0.1° | 0.0° |
C6 | C5 | C4 | N9 | 179.7° | 180.0° |
C6 | C5 | C4 | N3 | 0.3° | 0.0° |
N1 | C6 | C5 | C4 | 0.2° | 0.0° |
C6 | N1 | C2 | N3 | 0.3° | 0.0° |
C6 | N1 | C2 | N2 | 179.9° | 180.0° |
O2A | PA | O1A | O3A | 122.5° | 120.0° |
O2A | PA | O1A | O5' | 119.4° | 120.1° |
O2A | PA | O3A | O5' | 124.4° | 120.0° |
O2A | PA | O3A | PB | 170.7° | 45.0° |
O2A | PA | O5' | C5' | 110.7° | 55.0° |
O2A | PA | O1A | H17 | 0.0° | 179.9° |
C5 | C4 | N9 | C8 | 1.1° | 0.0° |
C5 | C4 | N9 | N3 | 179.3° | 180.0° |
C5 | C4 | N9 | C1' | 179.0° | 179.8° |
C5 | C4 | N3 | C2 | 0.1° | 0.0° |
C5 | C4 | N3 | H1 | 179.9° | 180.0° |
O1G | PG | O2G | O3B | 126.1° | 120.0° |
O1G | PG | O2G | O3G | 109.2° | 120.0° |
O1G | PG | O3B | O3G | 119.8° | 120.0° |
O1G | PG | O3B | PB | 69.4° | 45.1° |
O1G | PG | O2G | H4 | 0.0° | 180.0° |
O1G | PG | O3G | H5 | 0.0° | 59.9° |
C8 | N9 | C4 | C1' | 177.9° | 179.8° |
C8 | N9 | C4 | N3 | 179.6° | 180.0° |
C8 | N9 | C1' | O4' | 10.4° | 23.8° |
C8 | N9 | C1' | C2' | 130.6° | 91.6° |
C8 | N9 | C1' | H13 | 106.9° | 146.2° |
N1 | C2 | N3 | C4 | 0.2° | 0.0° |
N1 | C2 | N3 | N2 | 179.8° | 180.0° |
N1 | C2 | N2 | H15 | 0.0° | 0.0° |
N1 | C2 | N2 | H16 | 180.0° | 180.0° |
N1 | C2 | N3 | H1 | 179.9° | 180.0° |
O1A | PA | O3A | O5' | 122.2° | 120.0° |
O1A | PA | O3A | PB | 57.4° | 75.0° |
O1A | PA | O5' | C5' | 1.1° | 65.0° |
O2G | PG | O3B | O3G | 119.8° | 120.0° |
O2G | PG | O3B | PB | 170.2° | 75.0° |
O2G | PG | O3G | H5 | 109.7° | 60.1° |
PA | O3A | PB | O3B | 102.9° | 165.0° |
O3A | PA | O5' | C5' | 123.1° | 175.0° |
PA | O3A | PB | O1B | 131.9° | 45.0° |
PA | O3A | PB | O2B | 18.5° | 75.0° |
O3A | PA | O1A | H17 | 122.5° | 60.0° |
O5' | PA | O3A | PB | 64.8° | 165.0° |
PA | O5' | C5' | C4' | 125.2° | 180.0° |
O5' | PA | O1A | H17 | 119.4° | 60.0° |
PA | O5' | C5' | H7 | 115.0° | 60.0° |
PA | O5' | C5' | H8 | 5.5° | 60.0° |
N9 | C4 | N3 | C2 | 179.3° | 180.0° |
C4 | N9 | C1' | O4' | 171.6° | 156.4° |
C4 | N9 | C1' | C2' | 51.5° | 88.2° |
C4 | N9 | C1' | H13 | 71.0° | 34.1° |
C4 | N9 | C8 | H14 | 178.9° | 180.0° |
N9 | C4 | N3 | H1 | 0.7° | 0.0° |
C1' | N9 | C4 | N3 | 1.7° | 0.2° |
N9 | C1' | O4' | C2' | 125.2° | 118.8° |
N9 | C1' | O4' | H13 | 118.0° | 122.3° |
N9 | C1' | O4' | C4' | 133.7° | 159.4° |
N9 | C1' | C2' | H13 | 122.8° | 122.3° |
N9 | C1' | C2' | C3' | 106.9° | 142.9° |
N9 | C1' | C2' | O2' | 137.1° | 98.6° |
N9 | C1' | C2' | H11 | 14.5° | 24.1° |
C1' | N9 | C8 | H14 | 0.9° | 0.3° |
C4 | N3 | C2 | H1 | 180.0° | 180.0° |
C4 | N3 | C2 | N2 | 180.0° | 180.0° |
PG | O3B | PB | O3A | 62.4° | 160.1° |
PG | O3B | PB | O1B | 171.8° | 40.0° |
PG | O3B | PB | O2B | 59.4° | 80.0° |
O3B | PG | O2G | H4 | 126.1° | 60.0° |
O3B | PG | O3G | H5 | 125.9° | 179.9° |
O3G | PG | O3B | PB | 50.4° | 165.0° |
O3G | PG | O2G | H4 | 109.2° | 60.0° |
O3A | PB | O3B | O1B | 125.8° | 120.0° |
O3A | PB | O3B | O2B | 121.8° | 120.0° |
O3A | PB | O1B | O2B | 119.1° | 120.0° |
O3A | PB | O2B | H6 | 120.7° | 60.0° |
N3 | C2 | N2 | H15 | 179.9° | 180.0° |
N3 | C2 | N2 | H16 | 0.2° | 0.0° |
C2 | N2 | H15 | H16 | 180.0° | 180.0° |
N2 | C2 | N3 | H1 | 0.0° | 0.0° |
O4' | C1' | C2' | H13 | 116.6° | 118.9° |
C1' | O4' | C4' | C5' | 146.3° | 159.3° |
C1' | O4' | C4' | C3' | 27.5° | 40.5° |
O4' | C1' | C2' | C3' | 13.7° | 24.0° |
O4' | C1' | C2' | O2' | 102.3° | 142.6° |
C1' | O4' | C4' | H9 | 91.0° | 78.3° |
O4' | C1' | C2' | H11 | 135.1° | 94.7° |
C4' | O4' | C1' | C2' | 8.5° | 40.6° |
O4' | C4' | C5' | O5' | 55.4° | 69.6° |
O4' | C4' | C5' | C3' | 116.5° | 115.4° |
O4' | C4' | C5' | H9 | 122.7° | 122.4° |
O4' | C4' | C3' | H9 | 117.9° | 119.0° |
O4' | C4' | C3' | C2' | 37.2° | 24.0° |
O4' | C4' | C3' | O3' | 155.2° | 142.6° |
O4' | C4' | C5' | H7 | 175.1° | 50.4° |
O4' | C4' | C5' | H8 | 64.4° | 170.4° |
O4' | C4' | C3' | H10 | 84.1° | 94.8° |
C4' | O4' | C1' | H13 | 108.3° | 78.3° |
O3B | PB | O1B | O2B | 117.9° | 120.0° |
O3B | PB | O2B | H6 | 119.2° | 60.0° |
C1' | C2' | C3' | C4' | 31.5° | 0.0° |
C1' | C2' | C3' | O2' | 116.7° | 118.6° |
C1' | C2' | C3' | H11 | 120.9° | 118.8° |
C1' | C2' | O2' | H11 | 122.6° | 122.8° |
C1' | C2' | C3' | O3' | 144.8° | 118.6° |
C1' | C2' | C3' | H10 | 89.6° | 118.7° |
C1' | C2' | O2' | H12 | 172.8° | 65.4° |
O5' | C5' | C4' | H7 | 119.7° | 120.0° |
O5' | C5' | C4' | H8 | 119.7° | 119.9° |
O5' | C5' | C4' | C3' | 61.2° | 175.0° |
O5' | C5' | H7 | H8 | 120.8° | 120.0° |
O5' | C5' | C4' | H9 | 178.0° | 52.8° |
O1B | PB | O2B | H6 | 0.0° | 180.0° |
C5' | C4' | C3' | H9 | 120.4° | 122.2° |
C5' | C4' | C3' | C2' | 158.9° | 142.8° |
C5' | C4' | C3' | O3' | 83.1° | 98.5° |
C4' | C5' | H7 | H8 | 120.8° | 120.0° |
C5' | C4' | C3' | H10 | 37.7° | 24.0° |
C4' | C3' | C2' | O3' | 113.2° | 118.7° |
C4' | C3' | C2' | H10 | 121.1° | 118.7° |
C4' | C3' | C2' | O2' | 85.2° | 118.6° |
C4' | C3' | O3' | H10 | 120.6° | 122.6° |
C4' | C3' | O3' | PC | 168.4° | 120.0° |
C3' | C4' | C5' | H7 | 58.6° | 65.0° |
C3' | C4' | C5' | H8 | 179.1° | 55.0° |
C4' | C3' | C2' | H11 | 152.5° | 118.8° |
C3' | C2' | O2' | H11 | 122.8° | 122.6° |
C2' | C3' | O3' | H10 | 125.6° | 122.7° |
C2' | C3' | O3' | PC | 54.6° | 125.3° |
C2' | C3' | C4' | H9 | 80.7° | 95.0° |
C3' | C2' | O2' | H12 | 72.5° | 180.0° |
C3' | C2' | C1' | H13 | 130.3° | 94.8° |
O2' | C2' | C3' | O3' | 28.1° | 0.0° |
O2' | C2' | C3' | H10 | 153.8° | 122.7° |
O2' | C2' | C1' | H13 | 14.3° | 23.7° |
C3' | O3' | PC | O3C | 50.1° | 175.0° |
C3' | O3' | PC | O1C | 73.6° | 55.0° |
C3' | O3' | PC | O2C | 173.1° | 65.0° |
O3' | C3' | C4' | H9 | 37.3° | 23.7° |
O3' | C3' | C2' | H11 | 94.3° | 122.5° |
O1D | PD | O2D | O3C | 125.7° | 120.0° |
O1D | PD | O2D | O3D | 108.8° | 120.0° |
O1D | PD | O3C | O3D | 119.8° | 120.0° |
O1D | PD | O3C | PC | 64.2° | 40.0° |
O1D | PD | O2D | H2 | 0.0° | 60.0° |
O1D | PD | O3D | H3 | 0.0° | 180.0° |
O3' | PC | O3C | PD | 53.2° | 160.0° |
O3' | PC | O3C | O1C | 121.2° | 120.0° |
O3' | PC | O3C | O2C | 121.6° | 120.0° |
O3' | PC | O1C | O2C | 117.7° | 120.0° |
PC | O3' | C3' | H10 | 71.0° | 2.6° |
O3' | PC | O2C | H18 | 117.1° | 60.0° |
O2D | PD | O3C | O3D | 120.3° | 120.0° |
O2D | PD | O3C | PC | 175.9° | 160.0° |
O2D | PD | O3D | H3 | 109.2° | 60.0° |
PD | O3C | PC | O1C | 174.4° | 40.0° |
PD | O3C | PC | O2C | 68.4° | 80.0° |
O3C | PD | O2D | H2 | 125.7° | 180.0° |
O3C | PD | O3D | H3 | 125.8° | 60.0° |
O3D | PD | O3C | PC | 55.6° | 80.0° |
O3D | PD | O2D | H2 | 108.8° | 60.0° |
O3C | PC | O1C | O2C | 122.3° | 120.0° |
O3C | PC | O2C | H18 | 123.0° | 60.0° |
O1C | PC | O2C | H18 | 0.0° | 180.0° |
H7 | C5' | C4' | H9 | 62.2° | 172.8° |
H8 | C5' | C4' | H9 | 58.3° | 67.2° |
H9 | C4' | C3' | H10 | 158.1° | 146.3° |
H10 | C3' | C2' | H11 | 31.4° | 0.1° |
H11 | C2' | O2' | H12 | 50.2° | 57.4° |
H11 | C2' | C1' | H13 | 108.3° | 146.4° |