TCY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3P | P | sing | 1.61Å | 1.59Å | |
| O1P | P | doub | 1.48Å | 1.50Å | |
| P | O2P | sing | 1.61Å | 1.51Å | |
| P | O5' | sing | 1.61Å | 1.61Å | |
| C8' | C5' | sing | 1.53Å | 1.52Å | |
| C8' | C6' | sing | 1.53Å | 1.52Å | |
| O5' | C5' | sing | 1.43Å | 1.44Å | |
| C5' | C6' | sing | 1.54Å | 1.51Å | |
| C5' | C4' | sing | 1.54Å | 1.50Å | |
| C6' | C7' | sing | 1.54Å | 1.52Å | |
| C4' | C3' | sing | 1.56Å | 1.52Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C3' | C7' | sing | 1.61Å | 1.54Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C3' | C2' | sing | 1.54Å | 1.51Å | |
| C2' | C1' | sing | 1.54Å | 1.50Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| C1' | N9 | sing | 1.46Å | 1.48Å | |
| N9 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.34Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.34Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| C6 | C5 | doub | 1.41Å | 1.39Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.35Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
| C8' | H8' | sing | 1.09Å | 1.10Å | |
| C8' | H8'A | sing | 1.09Å | 1.10Å | |
| C6' | H6' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C7' | H7' | sing | 1.09Å | 1.10Å | |
| C7' | H7'A | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| O3P | HO3P | sing | 0.97Å | 0.95Å | |
| O2P | HO2P | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3P | P | O1P | 106.0° | 109.4° |
| O3P | P | O2P | 108.4° | 109.5° |
| O3P | P | O5' | 103.0° | 109.5° |
| P | O3P | HO3P | 109.5° | 114.0° |
| O1P | P | O2P | 120.8° | 109.4° |
| O1P | P | O5' | 110.3° | 109.5° |
| O2P | P | O5' | 107.0° | 109.5° |
| P | O2P | HO2P | 109.5° | 114.1° |
| P | O5' | C5' | 121.3° | 123.0° |
| C5' | C8' | C6' | 59.6° | 60.3° |
| C8' | C5' | O5' | 113.4° | 119.1° |
| C8' | C5' | C6' | 60.3° | 59.8° |
| C8' | C5' | C4' | 117.7° | 118.1° |
| C5' | C8' | H8' | 131.1° | 117.5° |
| C5' | C8' | H8'A | 136.2° | 117.5° |
| C8' | C6' | C5' | 60.1° | 59.9° |
| C8' | C6' | C7' | 122.7° | 118.5° |
| C6' | C8' | H8' | 131.2° | 117.5° |
| C6' | C8' | H8'A | 136.2° | 117.5° |
| C8' | C6' | H6' | 128.4° | 119.1° |
| O5' | C5' | C6' | 117.8° | 121.0° |
| O5' | C5' | C4' | 120.6° | 117.3° |
| C6' | C5' | C4' | 112.5° | 108.3° |
| C5' | C6' | C7' | 105.6° | 106.6° |
| C5' | C6' | H6' | 142.8° | 121.0° |
| C5' | C4' | C3' | 102.3° | 104.4° |
| C5' | C4' | O4' | 113.4° | 109.0° |
| C5' | C4' | H4' | 110.7° | 112.7° |
| C6' | C7' | C3' | 103.7° | 104.0° |
| C7' | C6' | H6' | 97.1° | 117.7° |
| C6' | C7' | H7' | 111.4° | 110.4° |
| C6' | C7' | H7'A | 112.7° | 110.3° |
| C3' | C4' | O4' | 106.5° | 103.9° |
| C4' | C3' | C7' | 110.2° | 102.2° |
| C4' | C3' | O3' | 107.2° | 113.8° |
| C4' | C3' | C2' | 104.0° | 102.4° |
| C3' | C4' | H4' | 117.2° | 112.8° |
| C4' | O4' | C1' | 112.3° | 107.7° |
| O4' | C4' | H4' | 106.9° | 113.2° |
| C7' | C3' | O3' | 115.2° | 114.2° |
| C7' | C3' | C2' | 108.9° | 108.8° |
| C3' | C7' | H7' | 111.4° | 111.2° |
| C3' | C7' | H7'A | 112.6° | 110.4° |
| O3' | C3' | C2' | 110.7° | 114.3° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C2' | C1' | 105.7° | 104.7° |
| C3' | C2' | H2' | 110.7° | 110.4° |
| C3' | C2' | H2'A | 111.6° | 110.4° |
| C2' | C1' | O4' | 105.5° | 107.4° |
| C2' | C1' | N9 | 114.4° | 109.9° |
| C1' | C2' | H2' | 110.8° | 110.4° |
| C1' | C2' | H2'A | 111.6° | 110.4° |
| C2' | C1' | H1' | 109.1° | 109.9° |
| O4' | C1' | N9 | 110.1° | 109.8° |
| O4' | C1' | H1' | 113.6° | 109.8° |
| C1' | N9 | C4 | 124.7° | 126.2° |
| C1' | N9 | C8 | 126.5° | 126.4° |
| N9 | C1' | H1' | 104.5° | 110.0° |
| C4 | N9 | C8 | 108.6° | 107.4° |
| N9 | C4 | N3 | 132.8° | 134.9° |
| N9 | C4 | C5 | 107.3° | 106.0° |
| N9 | C8 | N7 | 109.3° | 110.0° |
| N9 | C8 | H8 | 125.3° | 125.0° |
| N3 | C4 | C5 | 119.9° | 119.0° |
| C4 | N3 | C2 | 119.6° | 120.7° |
| C4 | C5 | C6 | 118.6° | 118.2° |
| C4 | C5 | N7 | 107.7° | 107.1° |
| N3 | C2 | N1 | 121.3° | 122.4° |
| N3 | C2 | H2 | 119.4° | 118.8° |
| C2 | N1 | C6 | 121.4° | 121.2° |
| N1 | C2 | H2 | 119.4° | 118.8° |
| N1 | C6 | N6 | 119.7° | 120.8° |
| N1 | C6 | C5 | 119.2° | 118.5° |
| N6 | C6 | C5 | 121.1° | 120.7° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.5° | 120.1° |
| C6 | C5 | N7 | 133.6° | 134.7° |
| C5 | N7 | C8 | 107.0° | 109.4° |
| N7 | C8 | H8 | 125.3° | 125.0° |
| H8' | C8' | H8'A | 74.4° | 115.5° |
| H7' | C7' | H7'A | 105.2° | 110.5° |
| H2' | C2' | H2'A | 106.6° | 110.4° |
| HN6 | N6 | HN6A | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3P | P | O1P | O2P | 123.5° | 120.0° |
| O3P | P | O1P | O5' | 110.7° | 120.0° |
| O3P | P | O2P | O5' | 110.4° | 120.0° |
| O3P | P | O5' | C5' | 114.2° | 65.0° |
| O3P | P | O2P | HO2P | 158.0° | 60.0° |
| O1P | P | O2P | O5' | 127.2° | 120.0° |
| O1P | P | O5' | C5' | 1.5° | 55.0° |
| O1P | P | O3P | HO3P | 110.5° | 180.0° |
| O1P | P | O2P | HO2P | 79.6° | 60.0° |
| O2P | P | O5' | C5' | 131.7° | 175.0° |
| O2P | P | O3P | HO3P | 118.5° | 60.1° |
| P | O5' | C5' | C8' | 74.0° | 124.8° |
| P | O5' | C5' | C6' | 141.6° | 164.9° |
| P | O5' | C5' | C4' | 73.8° | 28.7° |
| O5' | P | O3P | HO3P | 5.3° | 60.0° |
| O5' | P | O2P | HO2P | 47.6° | 180.0° |
| C5' | C8' | C6' | H8' | 120.0° | 107.6° |
| C5' | C8' | C6' | H8'A | 126.7° | 107.6° |
| C8' | C5' | O5' | C6' | 67.6° | 70.3° |
| C8' | C5' | O5' | C4' | 147.7° | 153.5° |
| C8' | C5' | C6' | C4' | 110.0° | 112.5° |
| C5' | C8' | C6' | C7' | 90.0° | 93.5° |
| C8' | C5' | C4' | C3' | 61.3° | 42.7° |
| C8' | C5' | C4' | O4' | 175.6° | 153.3° |
| C5' | C8' | H8' | H8'A | 138.7° | 145.5° |
| C5' | C8' | C6' | H6' | 135.8° | 111.0° |
| C8' | C5' | C4' | H4' | 64.3° | 80.2° |
| C8' | C6' | C7' | H6' | 145.5° | 155.8° |
| C8' | C6' | C7' | C3' | 44.5° | 40.8° |
| C6' | C8' | H8' | H8'A | 138.7° | 145.5° |
| C8' | C6' | C7' | H7' | 164.5° | 160.1° |
| C8' | C6' | C7' | H7'A | 77.6° | 77.6° |
| O5' | C5' | C6' | C4' | 147.4° | 139.6° |
| O5' | C5' | C6' | C7' | 138.4° | 138.4° |
| O5' | C5' | C4' | C3' | 152.2° | 163.6° |
| O5' | C5' | C4' | O4' | 38.0° | 53.0° |
| O5' | C5' | C8' | H8' | 10.3° | 3.4° |
| O5' | C5' | C8' | H8'A | 123.6° | 141.4° |
| O5' | C5' | C6' | H6' | 12.8° | 0.1° |
| O5' | C5' | C4' | H4' | 82.1° | 73.6° |
| C5' | C6' | C7' | H6' | 150.3° | 139.9° |
| C6' | C5' | C4' | C3' | 5.9° | 22.2° |
| C6' | C5' | C4' | O4' | 108.4° | 88.4° |
| C5' | C6' | C7' | C3' | 19.7° | 23.6° |
| C6' | C5' | C4' | H4' | 131.5° | 145.0° |
| C5' | C6' | C7' | H7' | 100.3° | 95.7° |
| C5' | C6' | C7' | H7'A | 141.8° | 141.9° |
| C4' | C5' | C6' | C7' | 9.0° | 1.3° |
| C5' | C4' | C3' | O4' | 119.2° | 114.3° |
| C5' | C4' | C3' | H4' | 121.3° | 122.8° |
| C5' | C4' | O4' | H4' | 122.3° | 126.3° |
| C5' | C4' | C3' | C7' | 18.9° | 35.8° |
| C5' | C4' | C3' | O3' | 107.2° | 87.8° |
| C5' | C4' | C3' | C2' | 135.5° | 148.4° |
| C5' | C4' | O4' | C1' | 113.8° | 148.7° |
| C4' | C5' | C8' | H8' | 138.5° | 156.6° |
| C4' | C5' | C8' | H8'A | 25.2° | 11.9° |
| C4' | C5' | C6' | H6' | 134.6° | 139.6° |
| C6' | C7' | C3' | C4' | 24.7° | 36.7° |
| C6' | C7' | C3' | H7' | 120.0° | 118.7° |
| C6' | C7' | C3' | H7'A | 122.1° | 118.3° |
| C6' | C7' | C3' | O3' | 96.7° | 86.6° |
| C6' | C7' | C3' | C2' | 138.2° | 144.5° |
| C7' | C6' | C8' | H8' | 150.0° | 158.9° |
| C7' | C6' | C8' | H8'A | 36.7° | 14.1° |
| C6' | C7' | H7' | H7'A | 122.3° | 122.3° |
| C3' | C4' | O4' | H4' | 126.0° | 122.7° |
| C4' | C3' | C7' | O3' | 121.5° | 123.3° |
| C4' | C3' | C7' | C2' | 113.5° | 107.8° |
| C4' | C3' | O3' | C2' | 112.8° | 117.2° |
| C4' | C3' | C2' | C1' | 24.0° | 18.6° |
| C3' | C4' | O4' | C1' | 2.1° | 37.8° |
| C4' | C3' | C7' | H7' | 95.3° | 82.1° |
| C4' | C3' | C7' | H7'A | 146.8° | 155.0° |
| C4' | C3' | O3' | HO3' | 46.5° | 180.0° |
| C4' | C3' | C2' | H2' | 144.0° | 137.4° |
| C4' | C3' | C2' | H2'A | 97.4° | 100.3° |
| O4' | C4' | C3' | C7' | 100.3° | 78.5° |
| O4' | C4' | C3' | O3' | 133.6° | 158.0° |
| O4' | C4' | C3' | C2' | 16.3° | 34.1° |
| C4' | O4' | C1' | C2' | 13.3° | 25.9° |
| C4' | O4' | C1' | N9 | 110.6° | 145.3° |
| C4' | O4' | C1' | H1' | 132.7° | 93.6° |
| C7' | C3' | O3' | C2' | 124.1° | 126.1° |
| C7' | C3' | C2' | C1' | 93.5° | 89.1° |
| C3' | C7' | C6' | H6' | 170.0° | 163.5° |
| C7' | C3' | C4' | H4' | 140.2° | 158.5° |
| C3' | C7' | H7' | H7'A | 122.3° | 122.9° |
| C7' | C3' | O3' | HO3' | 169.6° | 63.3° |
| C7' | C3' | C2' | H2' | 26.6° | 29.7° |
| C7' | C3' | C2' | H2'A | 145.1° | 152.1° |
| O3' | C3' | C2' | C1' | 138.9° | 142.1° |
| O3' | C3' | C4' | H4' | 14.1° | 35.0° |
| O3' | C3' | C7' | H7' | 143.3° | 154.7° |
| O3' | C3' | C7' | H7'A | 25.4° | 31.7° |
| O3' | C3' | C2' | H2' | 101.1° | 99.1° |
| O3' | C3' | C2' | H2'A | 17.4° | 23.3° |
| C3' | C2' | C1' | H2' | 120.0° | 118.8° |
| C3' | C2' | C1' | H2'A | 121.5° | 118.8° |
| C3' | C2' | C1' | O4' | 23.1° | 3.0° |
| C3' | C2' | C1' | N9 | 98.0° | 122.4° |
| C2' | C3' | C4' | H4' | 103.2° | 88.9° |
| C2' | C3' | C7' | H7' | 18.2° | 25.8° |
| C2' | C3' | C7' | H7'A | 99.7° | 97.2° |
| C2' | C3' | O3' | HO3' | 66.3° | 62.8° |
| C3' | C2' | H2' | H2'A | 121.5° | 122.3° |
| C3' | C2' | C1' | H1' | 145.5° | 116.4° |
| C2' | C1' | O4' | N9 | 123.9° | 119.4° |
| C2' | C1' | O4' | H1' | 119.4° | 119.4° |
| C2' | C1' | N9 | H1' | 119.2° | 121.1° |
| C2' | C1' | N9 | C4 | 77.2° | 85.0° |
| C2' | C1' | N9 | C8 | 108.3° | 95.2° |
| C1' | C2' | H2' | H2'A | 121.5° | 122.4° |
| O4' | C1' | N9 | H1' | 122.2° | 121.0° |
| O4' | C1' | N9 | C4 | 164.2° | 157.1° |
| O4' | C1' | N9 | C8 | 10.3° | 22.7° |
| C1' | O4' | C4' | H4' | 123.9° | 85.0° |
| O4' | C1' | C2' | H2' | 143.1° | 115.8° |
| O4' | C1' | C2' | H2'A | 98.3° | 121.8° |
| C1' | N9 | C4 | C8 | 175.4° | 179.8° |
| C1' | N9 | C4 | N3 | 4.0° | 0.0° |
| C1' | N9 | C4 | C5 | 176.6° | 180.0° |
| C1' | N9 | C8 | N7 | 176.4° | 179.8° |
| N9 | C1' | C2' | H2' | 22.0° | 3.6° |
| N9 | C1' | C2' | H2'A | 140.6° | 118.8° |
| C1' | N9 | C8 | H8 | 3.6° | 0.1° |
| N9 | C4 | N3 | C5 | 179.3° | 180.0° |
| N9 | C4 | N3 | C2 | 179.4° | 180.0° |
| N9 | C4 | C5 | C6 | 179.8° | 180.0° |
| N9 | C4 | C5 | N7 | 0.9° | 0.0° |
| C4 | N9 | C8 | N7 | 1.2° | 0.4° |
| C4 | N9 | C1' | H1' | 42.0° | 36.1° |
| C4 | N9 | C8 | H8 | 178.8° | 179.7° |
| C8 | N9 | C4 | N3 | 179.4° | 179.7° |
| C8 | N9 | C4 | C5 | 1.3° | 0.3° |
| N9 | C8 | N7 | C5 | 0.6° | 0.4° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| C8 | N9 | C1' | H1' | 132.5° | 143.7° |
| C4 | N3 | C2 | N1 | 0.6° | 0.1° |
| N3 | C4 | C5 | C6 | 0.7° | 0.0° |
| N3 | C4 | C5 | N7 | 179.6° | 180.0° |
| C4 | N3 | C2 | H2 | 179.5° | 180.0° |
| C5 | C4 | N3 | C2 | 0.1° | 0.0° |
| C4 | C5 | C6 | N1 | 0.7° | 0.0° |
| C4 | C5 | C6 | N6 | 179.3° | 180.0° |
| C4 | C5 | C6 | N7 | 178.6° | 179.9° |
| C4 | C5 | N7 | C8 | 0.2° | 0.2° |
| N3 | C2 | N1 | H2 | 180.0° | 180.0° |
| N3 | C2 | N1 | C6 | 0.6° | 0.1° |
| C2 | N1 | C6 | N6 | 180.0° | 179.9° |
| C2 | N1 | C6 | C5 | 0.0° | 0.0° |
| N1 | C6 | N6 | C5 | 180.0° | 179.9° |
| N1 | C6 | C5 | N7 | 179.3° | 179.9° |
| C6 | N1 | C2 | H2 | 179.4° | 180.0° |
| N1 | C6 | N6 | HN6 | 84.6° | 0.0° |
| N1 | C6 | N6 | HN6A | 35.4° | 180.0° |
| N6 | C6 | C5 | N7 | 0.7° | 0.1° |
| C6 | N6 | HN6 | HN6A | 120.0° | 180.0° |
| C6 | C5 | N7 | C8 | 178.9° | 179.7° |
| C5 | C6 | N6 | HN6 | 95.4° | 180.0° |
| C5 | C6 | N6 | HN6A | 144.6° | 0.1° |
| C5 | N7 | C8 | H8 | 179.4° | 179.7° |
| H8' | C8' | C6' | H6' | 15.8° | 3.5° |
| H8'A | C8' | C6' | H6' | 97.5° | 141.4° |
| H6' | C6' | C7' | H7' | 50.0° | 44.2° |
| H6' | C6' | C7' | H7'A | 67.9° | 78.2° |
| H2' | C2' | C1' | H1' | 94.5° | 124.8° |
| H2'A | C2' | C1' | H1' | 24.0° | 2.4° |
