COG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2B | N1' | doub | 1.32Å | 1.38Å | Aromatic |
| C2B | N2' | sing | 1.38Å | 1.41Å | |
| C2B | N3' | sing | 1.33Å | 1.41Å | Aromatic |
| C4B | C4A | sing | 1.42Å | 1.41Å | Aromatic |
| C4B | N3' | doub | 1.32Å | 1.37Å | Aromatic |
| C4B | N4' | sing | 1.38Å | 1.41Å | |
| C4A | C5B | doub | 1.40Å | 1.41Å | Aromatic |
| C4A | C8A | sing | 1.41Å | 1.41Å | Aromatic |
| C5B | C6B | sing | 1.38Å | 1.41Å | Aromatic |
| C5B | H5' | sing | 1.08Å | 1.10Å | |
| C6B | C7B | doub | 1.40Å | 1.38Å | Aromatic |
| C6B | N6' | sing | 1.40Å | 1.41Å | |
| C7B | C8' | sing | 1.36Å | 1.39Å | Aromatic |
| C7B | H7' | sing | 1.08Å | 1.10Å | |
| C8A | N1' | sing | 1.34Å | 1.38Å | Aromatic |
| C8A | C8' | doub | 1.40Å | 1.42Å | Aromatic |
| C21 | O2' | sing | 1.43Å | 1.40Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C21 | H213 | sing | 1.09Å | 1.12Å | |
| C7' | C1' | sing | 1.51Å | 1.54Å | |
| C7' | N6' | sing | 1.47Å | 1.44Å | |
| C7' | H7'1 | sing | 1.09Å | 1.12Å | |
| C7' | H7'2 | sing | 1.09Å | 1.11Å | |
| C61 | N6' | sing | 1.46Å | 1.45Å | |
| C61 | H611 | sing | 1.09Å | 1.12Å | |
| C61 | H612 | sing | 1.09Å | 1.12Å | |
| C61 | H613 | sing | 1.09Å | 1.11Å | |
| C1' | C2' | doub | 1.39Å | 1.39Å | Aromatic |
| C1' | C6' | sing | 1.38Å | 1.38Å | Aromatic |
| C2' | C3' | sing | 1.39Å | 1.40Å | Aromatic |
| C2' | O2' | sing | 1.36Å | 1.35Å | |
| C3' | C4' | doub | 1.38Å | 1.39Å | Aromatic |
| C3' | H3' | sing | 1.08Å | 1.10Å | |
| C4' | C5' | sing | 1.39Å | 1.39Å | Aromatic |
| C4' | H4' | sing | 1.08Å | 1.10Å | |
| C5' | C6' | doub | 1.39Å | 1.39Å | Aromatic |
| C5' | O5' | sing | 1.36Å | 1.40Å | |
| C51 | O5' | sing | 1.43Å | 1.39Å | |
| C51 | H511 | sing | 1.09Å | 1.12Å | |
| C51 | H512 | sing | 1.09Å | 1.11Å | |
| C51 | H513 | sing | 1.09Å | 1.12Å | |
| C6' | H6' | sing | 1.08Å | 1.10Å | |
| N2' | HN21 | sing | 0.97Å | 1.02Å | |
| N2' | HN22 | sing | 0.97Å | 1.02Å | |
| N4' | HN41 | sing | 0.97Å | 1.02Å | |
| N4' | HN42 | sing | 0.97Å | 1.02Å | |
| C8' | H8' | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1' | C2B | N2' | 120.2° | 118.6° |
| N1' | C2B | N3' | 120.0° | 122.8° |
| C2B | N1' | C8A | 119.8° | 120.4° |
| N2' | C2B | N3' | 119.7° | 118.6° |
| C2B | N2' | HN21 | 108.4° | 120.0° |
| C2B | N2' | HN22 | 120.2° | 120.0° |
| C2B | N3' | C4B | 120.4° | 121.4° |
| C4A | C4B | N3' | 120.0° | 118.4° |
| C4A | C4B | N4' | 123.8° | 120.8° |
| C4B | C4A | C5B | 121.7° | 121.9° |
| C4B | C4A | C8A | 118.9° | 118.3° |
| N3' | C4B | N4' | 116.2° | 120.8° |
| C4B | N4' | HN41 | 107.1° | 120.0° |
| C4B | N4' | HN42 | 123.8° | 119.9° |
| C5B | C4A | C8A | 119.4° | 119.8° |
| C4A | C5B | C6B | 119.0° | 119.3° |
| C4A | C5B | H5' | 120.5° | 120.3° |
| C4A | C8A | N1' | 120.8° | 118.7° |
| C4A | C8A | C8' | 121.8° | 119.5° |
| C6B | C5B | H5' | 120.6° | 120.3° |
| C5B | C6B | C7B | 120.2° | 120.6° |
| C5B | C6B | N6' | 112.2° | 119.7° |
| C7B | C6B | N6' | 127.5° | 119.7° |
| C6B | C7B | C8' | 123.0° | 120.9° |
| C6B | C7B | H7' | 118.0° | 119.6° |
| C6B | N6' | C7' | 122.2° | 120.0° |
| C6B | N6' | C61 | 110.3° | 120.0° |
| C8' | C7B | H7' | 119.0° | 119.5° |
| C7B | C8' | C8A | 116.5° | 119.8° |
| C7B | C8' | H8' | 120.8° | 120.1° |
| N1' | C8A | C8' | 117.2° | 121.7° |
| C8A | C8' | H8' | 122.6° | 120.1° |
| O2' | C21 | H211 | 103.7° | 109.5° |
| O2' | C21 | H212 | 134.2° | 109.5° |
| O2' | C21 | H213 | 103.7° | 109.5° |
| C21 | O2' | C2' | 134.2° | 106.8° |
| H211 | C21 | H212 | 103.7° | 109.5° |
| H211 | C21 | H213 | 105.0° | 109.5° |
| H212 | C21 | H213 | 103.7° | 109.4° |
| C1' | C7' | N6' | 108.8° | 109.5° |
| C1' | C7' | H7'1 | 112.4° | 109.5° |
| C1' | C7' | H7'2 | 112.4° | 109.5° |
| C7' | C1' | C2' | 119.1° | 119.9° |
| C7' | C1' | C6' | 120.3° | 120.0° |
| N6' | C7' | H7'1 | 112.4° | 109.4° |
| N6' | C7' | H7'2 | 112.5° | 109.5° |
| C7' | N6' | C61 | 127.4° | 120.0° |
| H7'1 | C7' | H7'2 | 98.0° | 109.5° |
| N6' | C61 | H611 | 111.9° | 109.5° |
| N6' | C61 | H612 | 110.3° | 109.5° |
| N6' | C61 | H613 | 111.9° | 109.5° |
| H611 | C61 | H612 | 111.9° | 109.4° |
| H611 | C61 | H613 | 98.5° | 109.5° |
| H612 | C61 | H613 | 111.9° | 109.4° |
| C2' | C1' | C6' | 120.5° | 120.0° |
| C1' | C2' | C3' | 118.8° | 120.0° |
| C1' | C2' | O2' | 123.0° | 120.0° |
| C1' | C6' | C5' | 120.2° | 120.0° |
| C1' | C6' | H6' | 119.6° | 120.0° |
| C3' | C2' | O2' | 118.1° | 120.0° |
| C2' | C3' | C4' | 121.0° | 120.0° |
| C2' | C3' | H3' | 119.9° | 120.1° |
| C4' | C3' | H3' | 119.1° | 120.0° |
| C3' | C4' | C5' | 119.4° | 120.0° |
| C3' | C4' | H4' | 120.2° | 120.0° |
| C5' | C4' | H4' | 120.5° | 119.9° |
| C4' | C5' | C6' | 120.1° | 120.0° |
| C4' | C5' | O5' | 116.9° | 120.0° |
| C6' | C5' | O5' | 122.9° | 120.0° |
| C5' | C6' | H6' | 120.2° | 120.0° |
| C5' | O5' | C51 | 126.9° | 106.8° |
| O5' | C51 | H511 | 106.1° | 109.5° |
| O5' | C51 | H512 | 126.9° | 109.4° |
| O5' | C51 | H513 | 106.1° | 109.5° |
| H511 | C51 | H512 | 106.1° | 109.5° |
| H511 | C51 | H513 | 103.4° | 109.4° |
| H512 | C51 | H513 | 106.1° | 109.5° |
| HN21 | N2' | HN22 | 108.3° | 120.0° |
| HN41 | N4' | HN42 | 107.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1' | C2B | N2' | N3' | 176.5° | 180.0° |
| N1' | C2B | N3' | C4B | 2.5° | 0.0° |
| C2B | N1' | C8A | C4A | 1.8° | 0.1° |
| C2B | N1' | C8A | C8' | 178.5° | 180.0° |
| N1' | C2B | N2' | HN21 | 54.7° | 180.0° |
| N1' | C2B | N2' | HN22 | 180.0° | 0.1° |
| N2' | C2B | N3' | C4B | 179.0° | 180.0° |
| N2' | C2B | N1' | C8A | 177.0° | 180.0° |
| C2B | N2' | HN21 | HN22 | 132.0° | 180.0° |
| C2B | N3' | C4B | C4A | 2.2° | 0.0° |
| C2B | N3' | C4B | N4' | 176.4° | 180.0° |
| N3' | C2B | N1' | C8A | 0.5° | 0.1° |
| N3' | C2B | N2' | HN21 | 128.7° | 0.0° |
| N3' | C2B | N2' | HN22 | 3.5° | 180.0° |
| C4A | C4B | N3' | N4' | 178.6° | 179.9° |
| C4B | C4A | C5B | C8A | 178.7° | 179.8° |
| C4B | C4A | C5B | C6B | 179.1° | 179.7° |
| C4B | C4A | C5B | H5' | 0.9° | 0.0° |
| C4B | C4A | C8A | N1' | 2.1° | 0.1° |
| C4B | C4A | C8A | C8' | 178.6° | 180.0° |
| C4A | C4B | N4' | HN41 | 54.7° | 179.9° |
| C4A | C4B | N4' | HN42 | 180.0° | 0.1° |
| N3' | C4B | C4A | C5B | 178.8° | 179.8° |
| N3' | C4B | C4A | C8A | 0.1° | 0.1° |
| N3' | C4B | N4' | HN41 | 126.7° | 0.0° |
| N3' | C4B | N4' | HN42 | 1.4° | 180.0° |
| N4' | C4B | C4A | C5B | 2.7° | 0.2° |
| N4' | C4B | C4A | C8A | 178.6° | 180.0° |
| C4B | N4' | HN41 | HN42 | 134.8° | 180.0° |
| C4A | C5B | C6B | H5' | 180.0° | 179.7° |
| C4A | C5B | C6B | C7B | 0.7° | 0.5° |
| C4A | C5B | C6B | N6' | 179.4° | 179.8° |
| C5B | C4A | C8A | N1' | 179.2° | 179.7° |
| C5B | C4A | C8A | C8' | 2.6° | 0.2° |
| C8A | C4A | C5B | C6B | 2.2° | 0.5° |
| C8A | C4A | C5B | H5' | 177.8° | 179.8° |
| C4A | C8A | C8' | C7B | 1.5° | 0.0° |
| C4A | C8A | N1' | C8' | 176.7° | 179.9° |
| C4A | C8A | C8' | H8' | 178.5° | 180.0° |
| C5B | C6B | C7B | N6' | 178.5° | 179.7° |
| C5B | C6B | C7B | C8' | 0.5° | 0.3° |
| C5B | C6B | C7B | H7' | 179.5° | 179.8° |
| C5B | C6B | N6' | C7' | 147.4° | 179.7° |
| C5B | C6B | N6' | C61 | 30.8° | 0.3° |
| H5' | C5B | C6B | C7B | 179.3° | 179.8° |
| H5' | C5B | C6B | N6' | 0.6° | 0.1° |
| C6B | C7B | C8' | H7' | 180.0° | 179.9° |
| C6B | C7B | C8' | C8A | 0.1° | 0.0° |
| C7B | C6B | N6' | C7' | 34.1° | 0.0° |
| C7B | C6B | N6' | C61 | 147.8° | 180.0° |
| C6B | C7B | C8' | H8' | 179.9° | 179.9° |
| N6' | C6B | C7B | C8' | 178.0° | 180.0° |
| N6' | C6B | C7B | H7' | 2.0° | 0.1° |
| C6B | N6' | C7' | C1' | 77.7° | 90.0° |
| C6B | N6' | C7' | C61 | 177.8° | 180.0° |
| C6B | N6' | C7' | H7'1 | 157.1° | 150.0° |
| C6B | N6' | C7' | H7'2 | 47.6° | 30.0° |
| C6B | N6' | C61 | H611 | 54.7° | 180.0° |
| C6B | N6' | C61 | H612 | 180.0° | 60.0° |
| C6B | N6' | C61 | H613 | 54.7° | 60.0° |
| C7B | C8' | C8A | N1' | 178.1° | 179.9° |
| C7B | C8' | C8A | H8' | 180.0° | 180.0° |
| H7' | C7B | C8' | C8A | 179.9° | 179.9° |
| H7' | C7B | C8' | H8' | 0.1° | 0.0° |
| N1' | C8A | C8' | H8' | 1.9° | 0.1° |
| O2' | C21 | H211 | H212 | 143.0° | 120.0° |
| O2' | C21 | H211 | H213 | 108.5° | 120.1° |
| O2' | C21 | H212 | H213 | 125.2° | 120.0° |
| C21 | O2' | C2' | C1' | 94.0° | 179.9° |
| C21 | O2' | C2' | C3' | 88.8° | 0.0° |
| H211 | C21 | H212 | H213 | 109.5° | 120.0° |
| H211 | C21 | O2' | C2' | 54.7° | 180.0° |
| H212 | C21 | O2' | C2' | 180.0° | 60.0° |
| H213 | C21 | O2' | C2' | 54.8° | 60.0° |
| C1' | C7' | N6' | H7'1 | 125.2° | 120.0° |
| C1' | C7' | N6' | H7'2 | 125.3° | 120.0° |
| C1' | C7' | H7'1 | H7'2 | 118.4° | 120.0° |
| C1' | C7' | N6' | C61 | 104.5° | 90.0° |
| C7' | C1' | C2' | C6' | 175.3° | 179.8° |
| C7' | C1' | C2' | C3' | 178.1° | 180.0° |
| C7' | C1' | C2' | O2' | 4.7° | 0.0° |
| C7' | C1' | C6' | C5' | 178.2° | 179.8° |
| C7' | C1' | C6' | H6' | 1.8° | 0.2° |
| N6' | C7' | H7'1 | H7'2 | 118.4° | 120.0° |
| C7' | N6' | C61 | H611 | 123.3° | 0.1° |
| C7' | N6' | C61 | H612 | 2.0° | 120.0° |
| C7' | N6' | C61 | H613 | 127.2° | 120.0° |
| N6' | C7' | C1' | C2' | 153.4° | 179.9° |
| N6' | C7' | C1' | C6' | 31.2° | 0.3° |
| H7'1 | C7' | N6' | C61 | 20.7° | 30.0° |
| H7'1 | C7' | C1' | C2' | 81.3° | 60.0° |
| H7'1 | C7' | C1' | C6' | 94.0° | 120.2° |
| H7'2 | C7' | N6' | C61 | 130.2° | 150.0° |
| H7'2 | C7' | C1' | C2' | 28.2° | 60.0° |
| H7'2 | C7' | C1' | C6' | 156.5° | 119.8° |
| N6' | C61 | H611 | H612 | 124.4° | 120.0° |
| N6' | C61 | H611 | H613 | 117.8° | 120.1° |
| N6' | C61 | H612 | H613 | 125.3° | 120.1° |
| H611 | C61 | H612 | H613 | 109.5° | 119.9° |
| C1' | C2' | C3' | O2' | 177.3° | 180.0° |
| C1' | C2' | C3' | C4' | 0.9° | 0.1° |
| C1' | C2' | C3' | H3' | 179.1° | 180.0° |
| C2' | C1' | C6' | C5' | 2.9° | 0.4° |
| C2' | C1' | C6' | H6' | 177.1° | 180.0° |
| C6' | C1' | C2' | C3' | 2.8° | 0.2° |
| C6' | C1' | C2' | O2' | 180.0° | 179.8° |
| C1' | C6' | C5' | C4' | 1.0° | 0.5° |
| C1' | C6' | C5' | H6' | 180.0° | 179.6° |
| C1' | C6' | C5' | O5' | 177.3° | 179.8° |
| C2' | C3' | C4' | H3' | 180.0° | 180.0° |
| C2' | C3' | C4' | C5' | 0.9° | 0.0° |
| C2' | C3' | C4' | H4' | 179.1° | 180.0° |
| O2' | C2' | C3' | C4' | 178.2° | 180.0° |
| O2' | C2' | C3' | H3' | 1.8° | 0.0° |
| C3' | C4' | C5' | H4' | 180.0° | 180.0° |
| C3' | C4' | C5' | C6' | 0.9° | 0.2° |
| C3' | C4' | C5' | O5' | 179.3° | 180.0° |
| H3' | C3' | C4' | C5' | 179.1° | 180.0° |
| H3' | C3' | C4' | H4' | 0.9° | 0.0° |
| C4' | C5' | C6' | O5' | 178.3° | 179.7° |
| C4' | C5' | O5' | C51 | 16.8° | 0.0° |
| C4' | C5' | C6' | H6' | 179.0° | 180.0° |
| H4' | C4' | C5' | C6' | 179.1° | 179.8° |
| H4' | C4' | C5' | O5' | 0.7° | 0.0° |
| C6' | C5' | O5' | C51 | 164.9° | 179.8° |
| C5' | O5' | C51 | H511 | 54.8° | 179.9° |
| C5' | O5' | C51 | H512 | 180.0° | 60.0° |
| C5' | O5' | C51 | H513 | 54.8° | 59.9° |
| O5' | C5' | C6' | H6' | 2.7° | 0.2° |
| O5' | C51 | H511 | H512 | 137.2° | 120.0° |
| O5' | C51 | H511 | H513 | 111.4° | 120.0° |
| O5' | C51 | H512 | H513 | 125.3° | 120.0° |
| H511 | C51 | H512 | H513 | 109.5° | 120.0° |
