TG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N2 | C2 | sing | 1.37Å | 1.44Å | |
N1 | C2 | sing | 1.36Å | 1.43Å | |
N1 | C6 | sing | 1.35Å | 1.35Å | |
O6 | C6 | doub | 1.22Å | 1.40Å | |
C2 | N3 | doub | 1.31Å | 1.40Å | |
C6 | C5 | sing | 1.41Å | 1.46Å | |
N3 | C4 | sing | 1.34Å | 1.41Å | |
C5 | C4 | doub | 1.40Å | 1.47Å | Aromatic |
C5 | N7 | sing | 1.36Å | 1.56Å | Aromatic |
C4 | N9 | sing | 1.37Å | 1.24Å | Aromatic |
N7 | C8 | doub | 1.30Å | 1.37Å | Aromatic |
N9 | C8 | sing | 1.36Å | 1.25Å | Aromatic |
N9 | C1' | sing | 1.47Å | 1.47Å | |
C1' | O4' | sing | 1.44Å | 1.47Å | |
C1' | C2' | sing | 1.55Å | 1.48Å | |
O4' | C4' | sing | 1.43Å | 1.51Å | |
C2' | O2' | sing | 1.43Å | 1.20Å | |
C2' | C3' | sing | 1.55Å | 1.45Å | |
C4' | C3' | sing | 1.54Å | 1.54Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
O3' | P | sing | 1.61Å | 1.61Å | |
P | O1P | doub | 1.48Å | 1.47Å | |
P | O2P | doub | 1.48Å | 1.49Å | |
C1' | H1 | sing | 1.09Å | 1.10Å | |
C2' | H2 | sing | 1.09Å | 1.10Å | |
C3' | H3 | sing | 1.09Å | 1.10Å | |
C4' | H4 | sing | 1.09Å | 1.10Å | |
C4' | H5 | sing | 1.09Å | 1.10Å | |
C8 | H6 | sing | 1.08Å | 1.08Å | |
N1 | H7 | sing | 0.97Å | 1.00Å | |
N2 | H8 | sing | 0.97Å | 1.00Å | |
N2 | H9 | sing | 0.97Å | 1.00Å | |
O2' | H11 | sing | 0.97Å | 0.95Å | |
P | O3P | sing | 1.61Å | 1.62Å | |
O3P | H10 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N2 | C2 | N1 | 116.7° | 119.0° |
N2 | C2 | N3 | 117.3° | 119.0° |
C2 | N2 | H8 | 120.0° | 120.0° |
C2 | N2 | H9 | 120.0° | 120.0° |
C2 | N1 | C6 | 119.3° | 120.3° |
N1 | C2 | N3 | 126.0° | 122.0° |
C2 | N1 | H7 | 120.4° | 119.9° |
N1 | C6 | O6 | 117.2° | 120.8° |
N1 | C6 | C5 | 119.6° | 118.3° |
C6 | N1 | H7 | 120.4° | 119.8° |
O6 | C6 | C5 | 123.2° | 120.9° |
C2 | N3 | C4 | 114.4° | 121.1° |
C6 | C5 | C4 | 118.5° | 118.6° |
C6 | C5 | N7 | 137.2° | 134.1° |
N3 | C4 | C5 | 122.2° | 119.7° |
N3 | C4 | N9 | 132.4° | 134.2° |
C4 | C5 | N7 | 104.3° | 107.3° |
C5 | C4 | N9 | 105.4° | 106.1° |
C5 | N7 | C8 | 98.3° | 109.3° |
C4 | N9 | C8 | 117.0° | 107.5° |
C4 | N9 | C1' | 119.5° | 126.2° |
N7 | C8 | N9 | 115.0° | 109.8° |
N7 | C8 | H6 | 122.5° | 125.0° |
C8 | N9 | C1' | 123.5° | 126.3° |
N9 | C8 | H6 | 122.5° | 125.1° |
N9 | C1' | O4' | 108.0° | 110.3° |
N9 | C1' | C2' | 115.3° | 110.3° |
N9 | C1' | H1 | 108.3° | 110.3° |
O4' | C1' | C2' | 108.5° | 105.1° |
C1' | O4' | C4' | 108.2° | 110.0° |
O4' | C1' | H1 | 108.3° | 110.3° |
C1' | C2' | O2' | 108.9° | 111.1° |
C1' | C2' | C3' | 105.5° | 100.9° |
C2' | C1' | H1 | 108.2° | 110.3° |
C1' | C2' | H2 | 109.9° | 111.1° |
O4' | C4' | C3' | 100.1° | 107.6° |
O4' | C4' | H4 | 111.7° | 109.8° |
O4' | C4' | H5 | 111.8° | 109.9° |
O2' | C2' | C3' | 107.2° | 111.1° |
O2' | C2' | H2 | 114.6° | 111.0° |
C2' | O2' | H11 | 109.5° | 114.0° |
C2' | C3' | C4' | 108.1° | 102.3° |
C2' | C3' | O3' | 109.8° | 110.8° |
C3' | C2' | H2 | 110.3° | 111.2° |
C2' | C3' | H3 | 110.1° | 110.9° |
C4' | C3' | O3' | 109.5° | 110.8° |
C4' | C3' | H3 | 108.9° | 111.0° |
C3' | C4' | H4 | 111.8° | 109.9° |
C3' | C4' | H5 | 111.8° | 109.9° |
C3' | O3' | P | 122.8° | 123.0° |
O3' | C3' | H3 | 110.4° | 110.8° |
O3' | P | O1P | 105.8° | 109.5° |
O3' | P | O2P | 114.0° | 109.5° |
O3' | P | O3P | 108.8° | 109.5° |
O1P | P | O2P | 110.6° | 109.5° |
O1P | P | O3P | 102.2° | 109.5° |
O2P | P | O3P | 114.4° | 109.5° |
H4 | C4' | H5 | 109.5° | 109.8° |
H8 | N2 | H9 | 120.0° | 120.0° |
P | O3P | H10 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N2 | C2 | N1 | N3 | 179.0° | 179.7° |
N2 | C2 | N1 | C6 | 179.3° | 179.7° |
N2 | C2 | N3 | C4 | 179.6° | 179.7° |
N2 | C2 | N1 | H7 | 0.7° | 0.3° |
C2 | N2 | H8 | H9 | 180.0° | 179.9° |
C2 | N1 | C6 | H7 | 180.0° | 179.9° |
C2 | N1 | C6 | O6 | 179.8° | 180.0° |
C2 | N1 | C6 | C5 | 0.2° | 0.0° |
N1 | C2 | N3 | C4 | 0.6° | 0.1° |
N1 | C2 | N2 | H8 | 179.1° | 179.7° |
N1 | C2 | N2 | H9 | 0.9° | 0.3° |
N1 | C6 | O6 | C5 | 179.6° | 179.9° |
C6 | N1 | C2 | N3 | 0.3° | 0.0° |
N1 | C6 | C5 | C4 | 0.3° | 0.0° |
N1 | C6 | C5 | N7 | 179.8° | 179.9° |
O6 | C6 | C5 | C4 | 179.9° | 179.9° |
O6 | C6 | C5 | N7 | 0.6° | 0.0° |
O6 | C6 | N1 | H7 | 0.2° | 0.1° |
C2 | N3 | C4 | C5 | 0.7° | 0.1° |
C2 | N3 | C4 | N9 | 179.6° | 179.9° |
N3 | C2 | N1 | H7 | 179.7° | 179.9° |
N3 | C2 | N2 | H8 | 0.0° | 0.1° |
N3 | C2 | N2 | H9 | 180.0° | 180.0° |
C6 | C5 | C4 | N3 | 0.6° | 0.0° |
C6 | C5 | C4 | N7 | 179.6° | 179.9° |
C6 | C5 | C4 | N9 | 179.8° | 180.0° |
C6 | C5 | N7 | C8 | 179.6° | 180.0° |
C5 | C6 | N1 | H7 | 179.8° | 180.0° |
N3 | C4 | C5 | N9 | 179.1° | 180.0° |
N3 | C4 | C5 | N7 | 179.8° | 180.0° |
N3 | C4 | N9 | C8 | 180.0° | 180.0° |
N3 | C4 | N9 | C1' | 2.0° | 0.0° |
C4 | C5 | N7 | C8 | 0.1° | 0.1° |
C5 | C4 | N9 | C8 | 1.0° | 0.0° |
C5 | C4 | N9 | C1' | 179.0° | 180.0° |
N7 | C5 | C4 | N9 | 0.6° | 0.0° |
C5 | N7 | C8 | N9 | 0.4° | 0.0° |
C5 | N7 | C8 | H6 | 179.5° | 180.0° |
C4 | N9 | C8 | N7 | 1.0° | 0.0° |
C4 | N9 | C8 | C1' | 178.0° | 180.0° |
C4 | N9 | C1' | O4' | 99.7° | 156.5° |
C4 | N9 | C1' | C2' | 138.8° | 87.8° |
C4 | N9 | C1' | H1 | 17.4° | 34.3° |
C4 | N9 | C8 | H6 | 179.0° | 180.0° |
N7 | C8 | N9 | H6 | 180.0° | 179.9° |
N7 | C8 | N9 | C1' | 179.0° | 180.0° |
C8 | N9 | C1' | O4' | 78.2° | 23.6° |
C8 | N9 | C1' | C2' | 43.3° | 92.1° |
C8 | N9 | C1' | H1 | 164.7° | 145.7° |
N9 | C1' | O4' | C2' | 125.6° | 118.9° |
N9 | C1' | O4' | H1 | 117.1° | 122.2° |
N9 | C1' | C2' | H1 | 121.4° | 122.2° |
N9 | C1' | O4' | C4' | 136.5° | 143.3° |
N9 | C1' | C2' | O2' | 133.3° | 86.7° |
N9 | C1' | C2' | C3' | 111.8° | 155.4° |
N9 | C1' | C2' | H2 | 7.0° | 37.3° |
C1' | N9 | C8 | H6 | 1.0° | 0.0° |
O4' | C1' | C2' | H1 | 117.3° | 118.9° |
O4' | C1' | C2' | O2' | 105.4° | 154.4° |
O4' | C1' | C2' | C3' | 9.4° | 36.5° |
C1' | O4' | C4' | C3' | 24.9° | 1.7° |
O4' | C1' | C2' | H2 | 128.3° | 81.6° |
C1' | O4' | C4' | H4 | 143.4° | 117.8° |
C1' | O4' | C4' | H5 | 93.6° | 121.3° |
C2' | C1' | O4' | C4' | 10.8° | 24.4° |
C1' | C2' | O2' | C3' | 113.7° | 111.5° |
C1' | C2' | O2' | H2 | 123.6° | 124.2° |
C1' | C2' | C3' | H2 | 118.6° | 117.9° |
C1' | C2' | C3' | C4' | 25.9° | 34.2° |
C1' | C2' | C3' | O3' | 93.5° | 152.3° |
C1' | C2' | C3' | H3 | 144.7° | 84.2° |
C1' | C2' | O2' | H11 | 180.0° | 180.0° |
O4' | C4' | C3' | C2' | 31.3° | 21.4° |
O4' | C4' | C3' | H4 | 118.4° | 119.5° |
O4' | C4' | C3' | H5 | 118.5° | 119.6° |
O4' | C4' | C3' | O3' | 88.3° | 139.6° |
C4' | O4' | C1' | H1 | 106.4° | 94.5° |
O4' | C4' | C3' | H3 | 150.9° | 96.9° |
O4' | C4' | H4 | H5 | 124.3° | 121.0° |
O2' | C2' | C3' | H2 | 125.4° | 124.2° |
O2' | C2' | C3' | C4' | 90.1° | 152.1° |
O2' | C2' | C3' | O3' | 150.5° | 89.8° |
O2' | C2' | C1' | H1 | 12.0° | 35.4° |
O2' | C2' | C3' | H3 | 28.7° | 33.7° |
C2' | C3' | C4' | O3' | 119.7° | 118.2° |
C2' | C3' | C4' | H3 | 119.6° | 118.3° |
C2' | C3' | O3' | H3 | 121.5° | 123.6° |
C2' | C3' | O3' | P | 167.9° | 120.0° |
C3' | C2' | C1' | H1 | 126.8° | 82.5° |
C2' | C3' | C4' | H4 | 149.8° | 140.9° |
C2' | C3' | C4' | H5 | 87.1° | 98.2° |
C3' | C2' | O2' | H11 | 66.3° | 68.4° |
C4' | C3' | O3' | H3 | 119.8° | 123.6° |
C4' | C3' | O3' | P | 49.3° | 127.2° |
C4' | C3' | C2' | H2 | 144.6° | 83.8° |
C3' | C4' | H4 | H5 | 124.4° | 120.9° |
C3' | O3' | P | O1P | 159.8° | 75.0° |
C3' | O3' | P | O2P | 38.0° | 45.0° |
O3' | C3' | C2' | H2 | 25.1° | 34.4° |
O3' | C3' | C4' | H4 | 30.1° | 101.0° |
O3' | C3' | C4' | H5 | 153.2° | 19.9° |
C3' | O3' | P | O3P | 91.0° | 165.0° |
O3' | P | O1P | O2P | 124.0° | 120.0° |
O3' | P | O1P | O3P | 113.8° | 120.0° |
O3' | P | O2P | O3P | 126.1° | 120.0° |
P | O3' | C3' | H3 | 70.5° | 3.5° |
O3' | P | O3P | H10 | 111.6° | 180.0° |
O1P | P | O2P | O3P | 114.7° | 120.0° |
O1P | P | O3P | H10 | 0.0° | 60.0° |
O2P | P | O3P | H10 | 119.6° | 60.0° |
H1 | C1' | C2' | H2 | 114.4° | 159.5° |
H2 | C2' | C3' | H3 | 96.7° | 157.8° |
H2 | C2' | O2' | H11 | 56.4° | 55.9° |
H3 | C3' | C4' | H4 | 90.7° | 22.5° |
H3 | C3' | C4' | H5 | 32.4° | 143.5° |