7QT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O6 | C6 | doub | 1.22Å | 1.24Å | |
O2B | PB | doub | 1.48Å | 1.57Å | |
C6 | N1 | sing | 1.35Å | 1.40Å | |
C6 | C5 | sing | 1.42Å | 1.42Å | |
C3 | C2' | sing | 1.53Å | 1.54Å | |
N1 | C2 | sing | 1.36Å | 1.37Å | |
N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
N7 | C8 | doub | 1.30Å | 1.32Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
O2A | PA | doub | 1.48Å | 1.49Å | |
C2 | N2 | sing | 1.37Å | 1.34Å | |
C2 | N3 | doub | 1.31Å | 1.33Å | |
C8 | N9 | sing | 1.36Å | 1.37Å | Aromatic |
C4 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
C4 | N3 | sing | 1.34Å | 1.35Å | |
PB | O3B | sing | 1.61Å | 1.51Å | |
PB | O1B | sing | 1.61Å | 1.49Å | |
PB | O3A | sing | 1.61Å | 1.65Å | |
N9 | C1' | sing | 1.46Å | 1.47Å | |
C2' | C3' | sing | 1.54Å | 1.52Å | |
C2' | C1' | sing | 1.55Å | 1.55Å | |
C2' | F4 | sing | 1.40Å | 1.44Å | |
C3' | O3' | sing | 1.43Å | 1.40Å | |
C3' | C4' | sing | 1.55Å | 1.53Å | |
O3A | PA | sing | 1.61Å | 1.62Å | |
PA | O5' | sing | 1.61Å | 1.59Å | |
PA | O1A | sing | 1.61Å | 1.49Å | |
O5' | C5' | sing | 1.43Å | 1.44Å | |
C1' | O4' | sing | 1.44Å | 1.42Å | |
C4' | O4' | sing | 1.44Å | 1.43Å | |
C4' | C5' | sing | 1.53Å | 1.50Å | |
C1' | H1 | sing | 1.09Å | 1.10Å | |
C3 | H4 | sing | 1.09Å | 1.10Å | |
C3 | H2 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3' | H5 | sing | 1.09Å | 1.10Å | |
C4' | H6 | sing | 1.09Å | 1.10Å | |
C5' | H8 | sing | 1.09Å | 1.10Å | |
C5' | H7 | sing | 1.09Å | 1.10Å | |
C8 | H9 | sing | 1.08Å | 1.08Å | |
N1 | H10 | sing | 0.97Å | 1.00Å | |
N2 | H12 | sing | 0.97Å | 1.00Å | |
N2 | H11 | sing | 0.97Å | 1.00Å | |
O1A | H13 | sing | 0.97Å | 0.95Å | |
O1B | H14 | sing | 0.97Å | 0.95Å | |
O3' | H16 | sing | 0.97Å | 0.95Å | |
O3B | H15 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O6 | C6 | N1 | 121.3° | 120.8° |
O6 | C6 | C5 | 127.0° | 120.8° |
O2B | PB | O3B | 119.0° | 109.4° |
O2B | PB | O1B | 121.1° | 109.5° |
O2B | PB | O3A | 99.7° | 109.5° |
N1 | C6 | C5 | 111.7° | 118.3° |
C6 | N1 | C2 | 123.8° | 120.3° |
C6 | N1 | H10 | 118.1° | 119.8° |
C6 | C5 | N7 | 129.9° | 134.1° |
C6 | C5 | C4 | 119.6° | 118.6° |
C3 | C2' | C3' | 119.8° | 110.5° |
C3 | C2' | C1' | 109.8° | 110.5° |
C3 | C2' | F4 | 111.4° | 110.6° |
C2' | C3 | H4 | 109.5° | 109.5° |
C2' | C3 | H2 | 109.5° | 109.5° |
C2' | C3 | H3 | 109.5° | 109.5° |
N1 | C2 | N2 | 117.5° | 119.0° |
N1 | C2 | N3 | 124.9° | 121.9° |
C2 | N1 | H10 | 118.1° | 119.9° |
C5 | N7 | C8 | 103.9° | 109.3° |
N7 | C5 | C4 | 110.5° | 107.3° |
N7 | C8 | N9 | 113.3° | 109.8° |
N7 | C8 | H9 | 123.4° | 125.1° |
C5 | C4 | N9 | 106.1° | 106.1° |
C5 | C4 | N3 | 128.2° | 119.7° |
O2A | PA | O3A | 105.3° | 109.5° |
O2A | PA | O5' | 109.9° | 109.5° |
O2A | PA | O1A | 123.4° | 109.4° |
N2 | C2 | N3 | 117.6° | 119.1° |
C2 | N2 | H12 | 120.0° | 120.0° |
C2 | N2 | H11 | 120.0° | 120.0° |
C2 | N3 | C4 | 111.6° | 121.1° |
C8 | N9 | C4 | 106.0° | 107.5° |
C8 | N9 | C1' | 129.7° | 126.3° |
N9 | C8 | H9 | 123.3° | 125.1° |
N9 | C4 | N3 | 125.7° | 134.2° |
C4 | N9 | C1' | 123.7° | 126.3° |
O3B | PB | O1B | 97.9° | 109.5° |
O3B | PB | O3A | 104.2° | 109.4° |
PB | O3B | H15 | 109.5° | 113.9° |
O1B | PB | O3A | 114.5° | 109.5° |
PB | O1B | H14 | 109.5° | 114.0° |
PB | O3A | PA | 138.8° | 134.0° |
N9 | C1' | C2' | 120.1° | 110.4° |
N9 | C1' | O4' | 106.1° | 110.4° |
N9 | C1' | H1 | 107.9° | 110.3° |
C3' | C2' | C1' | 100.4° | 104.1° |
C3' | C2' | F4 | 108.7° | 110.5° |
C2' | C3' | O3' | 113.6° | 110.5° |
C2' | C3' | C4' | 102.7° | 104.1° |
C2' | C3' | H5 | 110.2° | 110.5° |
C1' | C2' | F4 | 105.3° | 110.5° |
C2' | C1' | O4' | 106.9° | 104.8° |
C2' | C1' | H1 | 106.9° | 110.4° |
O3' | C3' | C4' | 107.8° | 110.5° |
O3' | C3' | H5 | 112.0° | 110.5° |
C3' | O3' | H16 | 109.5° | 114.0° |
C3' | C4' | O4' | 103.6° | 104.8° |
C3' | C4' | C5' | 116.8° | 110.4° |
C4' | C3' | H5 | 110.1° | 110.6° |
C3' | C4' | H6 | 109.5° | 110.3° |
O3A | PA | O5' | 106.1° | 109.5° |
O3A | PA | O1A | 111.5° | 109.5° |
O5' | PA | O1A | 99.5° | 109.5° |
PA | O5' | C5' | 116.0° | 123.0° |
PA | O1A | H13 | 109.5° | 114.0° |
O5' | C5' | C4' | 107.4° | 109.5° |
O5' | C5' | H8 | 110.0° | 109.4° |
O5' | C5' | H7 | 110.0° | 109.5° |
C1' | O4' | C4' | 110.4° | 105.3° |
O4' | C1' | H1 | 108.5° | 110.4° |
O4' | C4' | C5' | 105.9° | 110.4° |
O4' | C4' | H6 | 110.9° | 110.4° |
C5' | C4' | H6 | 109.9° | 110.4° |
C4' | C5' | H8 | 110.0° | 109.5° |
C4' | C5' | H7 | 110.0° | 109.5° |
H4 | C3 | H2 | 109.4° | 109.5° |
H4 | C3 | H3 | 109.5° | 109.5° |
H2 | C3 | H3 | 109.5° | 109.4° |
H8 | C5' | H7 | 109.4° | 109.5° |
H12 | N2 | H11 | 120.0° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O6 | C6 | N1 | C5 | 178.3° | 180.0° |
O6 | C6 | N1 | C2 | 177.4° | 180.0° |
O6 | C6 | C5 | N7 | 0.6° | 0.1° |
O6 | C6 | C5 | C4 | 179.3° | 179.8° |
O6 | C6 | N1 | H10 | 2.6° | 0.1° |
O2B | PB | O3B | O1B | 132.3° | 120.0° |
O2B | PB | O3B | O3A | 109.8° | 120.0° |
O2B | PB | O1B | O3A | 119.4° | 120.1° |
O2B | PB | O3A | PA | 57.5° | 45.0° |
O2B | PB | O1B | H14 | 0.0° | 179.9° |
O2B | PB | O3B | H15 | 0.0° | 60.0° |
C6 | N1 | C2 | H10 | 180.0° | 179.9° |
N1 | C6 | C5 | N7 | 178.8° | 179.9° |
N1 | C6 | C5 | C4 | 2.5° | 0.3° |
C6 | N1 | C2 | N2 | 178.5° | 180.0° |
C6 | N1 | C2 | N3 | 2.3° | 0.3° |
C5 | C6 | N1 | C2 | 4.4° | 0.0° |
C6 | C5 | N7 | C4 | 178.8° | 179.7° |
C6 | C5 | N7 | C8 | 178.0° | 179.7° |
C6 | C5 | C4 | N9 | 179.3° | 179.7° |
C6 | C5 | C4 | N3 | 1.6° | 0.2° |
C5 | C6 | N1 | H10 | 175.6° | 180.0° |
C3 | C2' | C1' | N9 | 31.5° | 24.2° |
C3 | C2' | C3' | C1' | 120.2° | 118.7° |
C3 | C2' | C3' | F4 | 129.6° | 122.7° |
C3 | C2' | C1' | F4 | 120.0° | 122.7° |
C3 | C2' | C3' | O3' | 86.1° | 122.7° |
C3 | C2' | C3' | C4' | 157.7° | 118.6° |
C3 | C2' | C1' | O4' | 152.2° | 94.7° |
C3 | C2' | C1' | H1 | 91.8° | 146.5° |
C2' | C3 | H4 | H2 | 120.0° | 120.0° |
C2' | C3 | H4 | H3 | 120.0° | 120.0° |
C2' | C3 | H2 | H3 | 120.0° | 120.0° |
C3 | C2' | C3' | H5 | 40.5° | 0.1° |
N1 | C2 | N2 | N3 | 179.3° | 179.7° |
N1 | C2 | N3 | C4 | 1.9° | 0.3° |
N1 | C2 | N2 | H12 | 179.3° | 179.7° |
N1 | C2 | N2 | H11 | 0.7° | 0.3° |
C5 | N7 | C8 | N9 | 3.3° | 0.0° |
N7 | C5 | C4 | N9 | 1.8° | 0.0° |
N7 | C5 | C4 | N3 | 177.3° | 180.0° |
C5 | N7 | C8 | H9 | 176.7° | 180.0° |
C8 | N7 | C5 | C4 | 0.8° | 0.0° |
N7 | C8 | N9 | H9 | 180.0° | 180.0° |
N7 | C8 | N9 | C4 | 4.5° | 0.0° |
N7 | C8 | N9 | C1' | 175.4° | 180.0° |
C5 | C4 | N3 | C2 | 3.9° | 0.1° |
C5 | C4 | N9 | C8 | 3.6° | 0.0° |
C5 | C4 | N9 | N3 | 179.1° | 180.0° |
C5 | C4 | N9 | C1' | 175.2° | 180.0° |
O2A | PA | O3A | PB | 65.1° | 45.0° |
O2A | PA | O3A | O5' | 116.5° | 120.0° |
O2A | PA | O3A | O1A | 136.1° | 120.0° |
O2A | PA | O5' | O1A | 130.9° | 120.0° |
O2A | PA | O5' | C5' | 163.5° | 55.0° |
O2A | PA | O1A | H13 | 0.0° | 180.0° |
N2 | C2 | N3 | C4 | 177.4° | 180.0° |
N2 | C2 | N1 | H10 | 1.5° | 0.0° |
C2 | N2 | H12 | H11 | 180.0° | 179.9° |
C2 | N3 | C4 | N9 | 177.2° | 180.0° |
N3 | C2 | N1 | H10 | 177.7° | 179.6° |
N3 | C2 | N2 | H12 | 0.0° | 0.1° |
N3 | C2 | N2 | H11 | 180.0° | 180.0° |
C8 | N9 | C4 | C1' | 171.6° | 180.0° |
C8 | N9 | C4 | N3 | 175.5° | 179.9° |
C8 | N9 | C1' | C2' | 89.6° | 91.9° |
C8 | N9 | C1' | O4' | 31.5° | 23.5° |
C8 | N9 | C1' | H1 | 147.6° | 145.8° |
C4 | N9 | C1' | C2' | 100.9° | 88.1° |
C4 | N9 | C1' | O4' | 138.1° | 156.5° |
C4 | N9 | C1' | H1 | 21.9° | 34.2° |
C4 | N9 | C8 | H9 | 175.5° | 180.0° |
N3 | C4 | N9 | C1' | 3.9° | 0.0° |
O3B | PB | O1B | O3A | 109.6° | 120.0° |
O3B | PB | O3A | PA | 66.0° | 165.0° |
O3B | PB | O1B | H14 | 130.9° | 60.0° |
O1B | PB | O3A | PA | 171.7° | 75.0° |
O1B | PB | O3B | H15 | 132.3° | 60.0° |
PB | O3A | PA | O5' | 51.4° | 165.0° |
PB | O3A | PA | O1A | 158.8° | 75.0° |
O3A | PB | O1B | H14 | 119.4° | 60.0° |
O3A | PB | O3B | H15 | 109.8° | 180.0° |
N9 | C1' | C2' | C3' | 95.7° | 142.9° |
N9 | C1' | C2' | O4' | 120.7° | 118.9° |
N9 | C1' | C2' | H1 | 123.3° | 122.3° |
N9 | C1' | C2' | F4 | 151.5° | 98.5° |
N9 | C1' | O4' | H1 | 115.8° | 122.3° |
N9 | C1' | O4' | C4' | 127.6° | 159.4° |
C1' | N9 | C8 | H9 | 4.6° | 0.0° |
C3' | C2' | C1' | F4 | 112.8° | 118.6° |
C2' | C3' | O3' | C4' | 113.1° | 114.6° |
C2' | C3' | O3' | H5 | 125.7° | 122.6° |
C2' | C3' | C4' | H5 | 117.4° | 118.7° |
C3' | C2' | C1' | O4' | 25.0° | 24.0° |
C2' | C3' | C4' | O4' | 38.0° | 24.0° |
C2' | C3' | C4' | C5' | 154.0° | 142.8° |
C3' | C2' | C1' | H1 | 141.1° | 94.8° |
C3' | C2' | C3 | H4 | 180.0° | 61.4° |
C3' | C2' | C3 | H2 | 60.0° | 178.5° |
C3' | C2' | C3 | H3 | 60.0° | 58.6° |
C2' | C3' | C4' | H6 | 80.3° | 94.8° |
C2' | C3' | O3' | H16 | 180.0° | 180.0° |
C1' | C2' | C3' | O3' | 153.7° | 118.6° |
C1' | C2' | C3' | C4' | 37.5° | 0.0° |
C2' | C1' | O4' | H1 | 115.0° | 118.8° |
C2' | C1' | O4' | C4' | 1.6° | 40.5° |
C1' | C2' | C3 | H4 | 64.6° | 176.1° |
C1' | C2' | C3 | H2 | 55.4° | 63.9° |
C1' | C2' | C3 | H3 | 175.4° | 56.1° |
C1' | C2' | C3' | H5 | 79.7° | 118.8° |
F4 | C2' | C3' | O3' | 43.5° | 0.0° |
F4 | C2' | C3' | C4' | 72.7° | 118.7° |
F4 | C2' | C1' | O4' | 87.8° | 142.6° |
F4 | C2' | C1' | H1 | 28.2° | 23.8° |
F4 | C2' | C3 | H4 | 51.6° | 61.2° |
F4 | C2' | C3 | H2 | 171.6° | 58.8° |
F4 | C2' | C3 | H3 | 68.4° | 178.7° |
F4 | C2' | C3' | H5 | 170.1° | 122.6° |
O3' | C3' | C4' | H5 | 122.4° | 122.7° |
O3' | C3' | C4' | O4' | 158.2° | 142.6° |
O3' | C3' | C4' | C5' | 85.8° | 98.5° |
O3' | C3' | C4' | H6 | 39.9° | 23.8° |
C3' | C4' | C5' | O5' | 51.9° | 175.0° |
C3' | C4' | O4' | C1' | 22.6° | 40.5° |
C3' | C4' | O4' | C5' | 123.5° | 118.8° |
C3' | C4' | O4' | H6 | 117.4° | 118.8° |
C3' | C4' | C5' | H6 | 125.5° | 122.3° |
C3' | C4' | C5' | H8 | 67.8° | 55.0° |
C3' | C4' | C5' | H7 | 171.6° | 65.0° |
C4' | C3' | O3' | H16 | 67.0° | 65.4° |
O3A | PA | O5' | O1A | 115.7° | 120.0° |
O3A | PA | O5' | C5' | 50.2° | 175.0° |
O3A | PA | O1A | H13 | 126.8° | 60.0° |
PA | O5' | C5' | C4' | 165.4° | 180.0° |
PA | O5' | C5' | H8 | 45.7° | 60.0° |
PA | O5' | C5' | H7 | 74.9° | 60.0° |
O5' | PA | O1A | H13 | 121.6° | 59.9° |
O1A | PA | O5' | C5' | 65.6° | 65.0° |
O5' | C5' | C4' | O4' | 62.8° | 69.6° |
O5' | C5' | C4' | H8 | 119.7° | 120.0° |
O5' | C5' | C4' | H7 | 119.7° | 120.1° |
O5' | C5' | C4' | H6 | 177.4° | 52.7° |
O5' | C5' | H8 | H7 | 120.9° | 120.0° |
C1' | O4' | C4' | C5' | 146.0° | 159.4° |
C1' | O4' | C4' | H6 | 94.8° | 78.3° |
O4' | C4' | C5' | H6 | 119.8° | 122.3° |
C4' | O4' | C1' | H1 | 116.6° | 78.3° |
O4' | C4' | C3' | H5 | 79.4° | 94.7° |
O4' | C4' | C5' | H8 | 177.5° | 170.4° |
O4' | C4' | C5' | H7 | 56.9° | 50.4° |
C5' | C4' | C3' | H5 | 36.6° | 24.1° |
C4' | C5' | H8 | H7 | 120.9° | 120.0° |
H4 | C3 | H2 | H3 | 120.0° | 120.0° |
H5 | C3' | C4' | H6 | 162.3° | 146.5° |
H5 | C3' | O3' | H16 | 54.3° | 57.3° |
H6 | C4' | C5' | H8 | 57.7° | 67.3° |
H6 | C4' | C5' | H7 | 62.9° | 172.7° |