CO4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2' | C2D | sing | 1.38Å | 1.30Å | |
| N2' | H2'1 | sing | 0.97Å | 1.02Å | |
| N2' | H2'2 | sing | 0.97Å | 1.02Å | |
| C2D | N3' | doub | 1.33Å | 1.35Å | Aromatic |
| C2D | N1' | sing | 1.32Å | 1.36Å | Aromatic |
| N3' | C4D | sing | 1.32Å | 1.32Å | Aromatic |
| C4D | N4' | sing | 1.38Å | 1.36Å | |
| C4D | C4A | doub | 1.42Å | 1.43Å | Aromatic |
| N4' | H4'1 | sing | 0.97Å | 1.02Å | |
| N4' | H4'2 | sing | 0.97Å | 1.02Å | |
| C4A | C5D | sing | 1.40Å | 1.45Å | Aromatic |
| C4A | C8A | sing | 1.42Å | 1.40Å | Aromatic |
| C5D | C6D | doub | 1.37Å | 1.37Å | Aromatic |
| C5D | C51 | sing | 1.51Å | 1.51Å | |
| C6D | C7' | sing | 1.39Å | 1.42Å | Aromatic |
| C6D | C8' | sing | 1.51Å | 1.55Å | |
| C7' | N8' | doub | 1.31Å | 1.34Å | Aromatic |
| C7' | H7' | sing | 1.08Å | 1.10Å | |
| N8' | C8A | sing | 1.33Å | 1.41Å | Aromatic |
| C8A | N1' | doub | 1.34Å | 1.40Å | Aromatic |
| C8' | N9' | sing | 1.46Å | 1.45Å | |
| C8' | H8'1 | sing | 1.09Å | 1.12Å | |
| C8' | H8'2 | sing | 1.09Å | 1.11Å | |
| N9' | C1' | sing | 1.40Å | 1.38Å | |
| N9' | C9' | sing | 1.47Å | 1.47Å | |
| C1' | C6' | doub | 1.39Å | 1.43Å | Aromatic |
| C1' | C2' | sing | 1.39Å | 1.42Å | Aromatic |
| C6' | C5' | sing | 1.39Å | 1.39Å | Aromatic |
| C6' | H6' | sing | 1.08Å | 1.10Å | |
| C5' | O5' | sing | 1.36Å | 1.37Å | |
| C5' | C4' | doub | 1.39Å | 1.38Å | Aromatic |
| O5' | C5B | sing | 1.43Å | 1.44Å | |
| C5B | H5B1 | sing | 1.09Å | 1.12Å | |
| C5B | H5B2 | sing | 1.09Å | 1.11Å | |
| C5B | H5B3 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.36Å | 1.42Å | |
| C4' | C3' | sing | 1.39Å | 1.39Å | Aromatic |
| O4' | C4B | sing | 1.43Å | 1.43Å | |
| C4B | H4B1 | sing | 1.09Å | 1.11Å | |
| C4B | H4B2 | sing | 1.09Å | 1.11Å | |
| C4B | H4B3 | sing | 1.09Å | 1.12Å | |
| C3' | O3' | sing | 1.36Å | 1.38Å | |
| C3' | C2' | doub | 1.39Å | 1.39Å | Aromatic |
| O3' | C3B | sing | 1.43Å | 1.45Å | |
| C3B | H3B1 | sing | 1.09Å | 1.12Å | |
| C3B | H3B2 | sing | 1.09Å | 1.11Å | |
| C3B | H3B3 | sing | 1.09Å | 1.12Å | |
| C2' | H2' | sing | 1.08Å | 1.10Å | |
| C9' | H9'1 | sing | 1.09Å | 1.12Å | |
| C9' | H9'2 | sing | 1.09Å | 1.12Å | |
| C9' | H9'3 | sing | 1.09Å | 1.11Å | |
| C51 | H511 | sing | 1.09Å | 1.12Å | |
| C51 | H512 | sing | 1.09Å | 1.12Å | |
| C51 | H513 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2D | N2' | H2'1 | 105.7° | 120.0° |
| C2D | N2' | H2'2 | 128.0° | 120.0° |
| N2' | C2D | N3' | 128.0° | 118.6° |
| N2' | C2D | N1' | 109.9° | 118.6° |
| H2'1 | N2' | H2'2 | 105.7° | 120.0° |
| N3' | C2D | N1' | 122.1° | 122.9° |
| C2D | N3' | C4D | 120.4° | 121.3° |
| C2D | N1' | C8A | 117.2° | 120.5° |
| N3' | C4D | N4' | 112.2° | 120.9° |
| N3' | C4D | C4A | 123.6° | 118.3° |
| N4' | C4D | C4A | 124.1° | 120.8° |
| C4D | N4' | H4'1 | 111.2° | 120.0° |
| C4D | N4' | H4'2 | 112.1° | 120.0° |
| C4D | C4A | C5D | 128.1° | 122.2° |
| C4D | C4A | C8A | 113.0° | 118.6° |
| H4'1 | N4' | H4'2 | 111.2° | 120.0° |
| C5D | C4A | C8A | 118.8° | 119.3° |
| C4A | C5D | C6D | 120.2° | 118.1° |
| C4A | C5D | C51 | 119.5° | 121.0° |
| C4A | C8A | N8' | 121.4° | 119.8° |
| C4A | C8A | N1' | 123.5° | 118.5° |
| C6D | C5D | C51 | 120.3° | 120.9° |
| C5D | C6D | C7' | 117.1° | 119.8° |
| C5D | C6D | C8' | 125.9° | 120.1° |
| C5D | C51 | H511 | 108.6° | 109.4° |
| C5D | C51 | H512 | 119.5° | 109.5° |
| C5D | C51 | H513 | 108.6° | 109.5° |
| C7' | C6D | C8' | 117.0° | 120.0° |
| C6D | C7' | N8' | 125.3° | 121.8° |
| C6D | C7' | H7' | 120.5° | 119.1° |
| C6D | C8' | N9' | 125.8° | 109.5° |
| C6D | C8' | H8'1 | 106.4° | 109.4° |
| C6D | C8' | H8'2 | 106.5° | 109.4° |
| N8' | C7' | H7' | 114.2° | 119.2° |
| C7' | N8' | C8A | 117.0° | 121.2° |
| N8' | C8A | N1' | 115.1° | 121.7° |
| N9' | C8' | H8'1 | 106.4° | 109.5° |
| N9' | C8' | H8'2 | 106.4° | 109.5° |
| C8' | N9' | C1' | 120.9° | 120.0° |
| C8' | N9' | C9' | 125.4° | 120.0° |
| H8'1 | C8' | H8'2 | 103.1° | 109.4° |
| C1' | N9' | C9' | 111.3° | 120.0° |
| N9' | C1' | C6' | 119.9° | 120.0° |
| N9' | C1' | C2' | 116.1° | 119.9° |
| N9' | C9' | H9'1 | 106.6° | 109.5° |
| N9' | C9' | H9'2 | 125.4° | 109.4° |
| N9' | C9' | H9'3 | 106.6° | 109.5° |
| C6' | C1' | C2' | 123.9° | 120.1° |
| C1' | C6' | C5' | 113.2° | 120.0° |
| C1' | C6' | H6' | 124.7° | 120.0° |
| C1' | C2' | C3' | 116.9° | 120.0° |
| C1' | C2' | H2' | 122.6° | 120.0° |
| C5' | C6' | H6' | 122.2° | 119.9° |
| C6' | C5' | O5' | 114.7° | 120.0° |
| C6' | C5' | C4' | 126.3° | 119.9° |
| O5' | C5' | C4' | 118.9° | 120.0° |
| C5' | O5' | C5B | 110.9° | 106.8° |
| C5' | C4' | O4' | 119.9° | 120.0° |
| C5' | C4' | C3' | 117.3° | 119.9° |
| O5' | C5B | H5B1 | 111.7° | 109.5° |
| O5' | C5B | H5B2 | 110.9° | 109.5° |
| O5' | C5B | H5B3 | 111.7° | 109.5° |
| H5B1 | C5B | H5B2 | 111.7° | 109.4° |
| H5B1 | C5B | H5B3 | 98.7° | 109.5° |
| H5B2 | C5B | H5B3 | 111.7° | 109.5° |
| O4' | C4' | C3' | 122.8° | 120.1° |
| C4' | O4' | C4B | 110.4° | 106.8° |
| C4' | C3' | O3' | 113.0° | 119.9° |
| C4' | C3' | C2' | 122.3° | 120.0° |
| O4' | C4B | H4B1 | 111.9° | 109.4° |
| O4' | C4B | H4B2 | 110.4° | 109.4° |
| O4' | C4B | H4B3 | 111.9° | 109.4° |
| H4B1 | C4B | H4B2 | 111.9° | 109.5° |
| H4B1 | C4B | H4B3 | 98.5° | 109.5° |
| H4B2 | C4B | H4B3 | 111.9° | 109.6° |
| O3' | C3' | C2' | 124.5° | 120.0° |
| C3' | O3' | C3B | 113.6° | 106.8° |
| C3' | C2' | H2' | 120.5° | 120.0° |
| O3' | C3B | H3B1 | 110.7° | 109.5° |
| O3' | C3B | H3B2 | 113.6° | 109.5° |
| O3' | C3B | H3B3 | 110.7° | 109.4° |
| H3B1 | C3B | H3B2 | 110.7° | 109.4° |
| H3B1 | C3B | H3B3 | 99.6° | 109.5° |
| H3B2 | C3B | H3B3 | 110.7° | 109.5° |
| H9'1 | C9' | H9'2 | 106.6° | 109.5° |
| H9'1 | C9' | H9'3 | 102.9° | 109.5° |
| H9'2 | C9' | H9'3 | 106.6° | 109.5° |
| H511 | C51 | H512 | 108.6° | 109.5° |
| H511 | C51 | H513 | 101.4° | 109.4° |
| H512 | C51 | H513 | 108.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2D | N2' | H2'1 | H2'2 | 138.1° | 179.9° |
| N2' | C2D | N3' | N1' | 177.6° | 179.9° |
| N2' | C2D | N3' | C4D | 179.2° | 180.0° |
| N2' | C2D | N1' | C8A | 178.7° | 180.0° |
| H2'1 | N2' | C2D | N3' | 54.8° | 0.0° |
| H2'1 | N2' | C2D | N1' | 127.4° | 179.9° |
| H2'2 | N2' | C2D | N3' | 180.0° | 180.0° |
| H2'2 | N2' | C2D | N1' | 2.2° | 0.0° |
| C2D | N3' | C4D | N4' | 178.2° | 180.0° |
| C2D | N3' | C4D | C4A | 2.5° | 0.0° |
| N3' | C2D | N1' | C8A | 3.2° | 0.1° |
| N1' | C2D | N3' | C4D | 1.6° | 0.0° |
| C2D | N1' | C8A | C4A | 1.0° | 0.1° |
| C2D | N1' | C8A | N8' | 178.7° | 179.9° |
| N3' | C4D | N4' | C4A | 175.7° | 180.0° |
| N3' | C4D | N4' | H4'1 | 54.7° | 41.7° |
| N3' | C4D | N4' | H4'2 | 180.0° | 138.4° |
| N3' | C4D | C4A | C5D | 178.1° | 179.7° |
| N3' | C4D | C4A | C8A | 4.4° | 0.0° |
| C4D | N4' | H4'1 | H4'2 | 125.8° | 179.9° |
| N4' | C4D | C4A | C5D | 2.9° | 0.3° |
| N4' | C4D | C4A | C8A | 179.6° | 180.0° |
| C4A | C4D | N4' | H4'1 | 129.6° | 138.3° |
| C4A | C4D | N4' | H4'2 | 4.3° | 41.6° |
| C4D | C4A | C5D | C8A | 177.4° | 179.7° |
| C4D | C4A | C5D | C6D | 174.5° | 179.8° |
| C4D | C4A | C5D | C51 | 3.3° | 0.0° |
| C4D | C4A | C8A | N8' | 177.8° | 180.0° |
| C4D | C4A | C8A | N1' | 2.6° | 0.1° |
| C4A | C5D | C6D | C51 | 177.8° | 179.8° |
| C4A | C5D | C6D | C7' | 5.3° | 0.5° |
| C4A | C5D | C6D | C8' | 178.3° | 179.8° |
| C5D | C4A | C8A | N8' | 0.0° | 0.3° |
| C5D | C4A | C8A | N1' | 179.7° | 179.8° |
| C4A | C5D | C51 | H511 | 54.7° | 83.1° |
| C4A | C5D | C51 | H512 | 180.0° | 37.0° |
| C4A | C5D | C51 | H513 | 54.8° | 157.0° |
| C8A | C4A | C5D | C6D | 2.9° | 0.5° |
| C8A | C4A | C5D | C51 | 179.3° | 179.7° |
| C4A | C8A | N8' | C7' | 0.2° | 0.0° |
| C4A | C8A | N8' | N1' | 179.7° | 179.9° |
| C5D | C6D | C7' | C8' | 176.7° | 179.7° |
| C5D | C6D | C7' | N8' | 5.5° | 0.2° |
| C5D | C6D | C7' | H7' | 174.5° | 179.7° |
| C5D | C6D | C8' | N9' | 173.2° | 179.7° |
| C5D | C6D | C8' | H8'1 | 47.9° | 59.7° |
| C5D | C6D | C8' | H8'2 | 61.6° | 60.2° |
| C6D | C5D | C51 | H511 | 123.0° | 96.7° |
| C6D | C5D | C51 | H512 | 2.2° | 143.2° |
| C6D | C5D | C51 | H513 | 127.5° | 23.2° |
| C51 | C5D | C6D | C7' | 176.9° | 179.7° |
| C51 | C5D | C6D | C8' | 0.5° | 0.0° |
| C5D | C51 | H511 | H512 | 131.4° | 120.0° |
| C5D | C51 | H511 | H513 | 114.3° | 119.9° |
| C5D | C51 | H512 | H513 | 125.3° | 120.0° |
| C6D | C7' | N8' | H7' | 180.0° | 180.0° |
| C6D | C7' | N8' | C8A | 2.7° | 0.0° |
| C7' | C6D | C8' | N9' | 10.5° | 0.0° |
| C7' | C6D | C8' | H8'1 | 135.7° | 120.0° |
| C7' | C6D | C8' | H8'2 | 114.8° | 120.1° |
| C8' | C6D | C7' | N8' | 177.8° | 179.9° |
| C8' | C6D | C7' | H7' | 2.2° | 0.0° |
| C6D | C8' | N9' | H8'1 | 125.3° | 120.0° |
| C6D | C8' | N9' | H8'2 | 125.3° | 120.0° |
| C6D | C8' | H8'1 | H8'2 | 111.8° | 119.9° |
| C6D | C8' | N9' | C1' | 74.3° | 90.0° |
| C6D | C8' | N9' | C9' | 86.5° | 90.0° |
| C7' | N8' | C8A | N1' | 179.8° | 179.9° |
| H7' | C7' | N8' | C8A | 177.3° | 180.0° |
| N9' | C8' | H8'1 | H8'2 | 111.8° | 120.1° |
| C8' | N9' | C1' | C9' | 163.3° | 180.0° |
| C8' | N9' | C1' | C6' | 18.6° | 177.7° |
| C8' | N9' | C1' | C2' | 164.0° | 2.4° |
| C8' | N9' | C9' | H9'1 | 54.7° | 174.8° |
| C8' | N9' | C9' | H9'2 | 180.0° | 54.8° |
| C8' | N9' | C9' | H9'3 | 54.7° | 65.2° |
| H8'1 | C8' | N9' | C1' | 160.4° | 150.0° |
| H8'1 | C8' | N9' | C9' | 38.8° | 30.0° |
| H8'2 | C8' | N9' | C1' | 50.9° | 30.0° |
| H8'2 | C8' | N9' | C9' | 148.2° | 150.0° |
| N9' | C1' | C6' | C2' | 177.2° | 180.0° |
| N9' | C1' | C6' | C5' | 179.3° | 180.0° |
| N9' | C1' | C6' | H6' | 0.7° | 0.0° |
| N9' | C1' | C2' | C3' | 178.1° | 180.0° |
| N9' | C1' | C2' | H2' | 1.9° | 0.0° |
| C1' | N9' | C9' | H9'1 | 107.7° | 5.2° |
| C1' | N9' | C9' | H9'2 | 17.6° | 125.2° |
| C1' | N9' | C9' | H9'3 | 142.9° | 114.8° |
| C9' | N9' | C1' | C6' | 178.1° | 2.3° |
| C9' | N9' | C1' | C2' | 0.7° | 177.6° |
| N9' | C9' | H9'1 | H9'2 | 136.0° | 120.0° |
| N9' | C9' | H9'1 | H9'3 | 112.0° | 120.0° |
| N9' | C9' | H9'2 | H9'3 | 125.3° | 120.0° |
| C1' | C6' | C5' | H6' | 180.0° | 180.0° |
| C1' | C6' | C5' | O5' | 176.7° | 180.0° |
| C1' | C6' | C5' | C4' | 0.8° | 0.2° |
| C6' | C1' | C2' | C3' | 4.5° | 0.1° |
| C6' | C1' | C2' | H2' | 175.4° | 180.0° |
| C2' | C1' | C6' | C5' | 3.5° | 0.1° |
| C2' | C1' | C6' | H6' | 176.5° | 180.0° |
| C1' | C2' | C3' | C4' | 2.8° | 0.2° |
| C1' | C2' | C3' | O3' | 178.9° | 180.0° |
| C1' | C2' | C3' | H2' | 180.0° | 179.9° |
| C6' | C5' | O5' | C4' | 176.2° | 179.7° |
| C6' | C5' | O5' | C5B | 8.2° | 0.0° |
| C6' | C5' | C4' | O4' | 178.5° | 180.0° |
| C6' | C5' | C4' | C3' | 0.7° | 0.5° |
| H6' | C6' | C5' | O5' | 3.3° | 0.0° |
| H6' | C6' | C5' | C4' | 179.2° | 179.7° |
| C5' | O5' | C5B | H5B1 | 54.7° | 180.0° |
| C5' | O5' | C5B | H5B2 | 180.0° | 60.0° |
| C5' | O5' | C5B | H5B3 | 54.8° | 60.0° |
| O5' | C5' | C4' | O4' | 2.7° | 0.3° |
| O5' | C5' | C4' | C3' | 175.0° | 179.7° |
| C4' | C5' | O5' | C5B | 175.6° | 179.7° |
| C5' | C4' | O4' | C3' | 177.6° | 179.4° |
| C5' | C4' | O4' | C4B | 175.7° | 90.5° |
| C5' | C4' | C3' | O3' | 176.9° | 179.7° |
| C5' | C4' | C3' | C2' | 0.3° | 0.5° |
| O5' | C5B | H5B1 | H5B2 | 124.9° | 120.0° |
| O5' | C5B | H5B1 | H5B3 | 117.6° | 120.0° |
| O5' | C5B | H5B2 | H5B3 | 125.3° | 120.0° |
| H5B1 | C5B | H5B2 | H5B3 | 109.5° | 120.0° |
| C4' | O4' | C4B | H4B1 | 54.7° | 180.0° |
| C4' | O4' | C4B | H4B2 | 180.0° | 60.0° |
| C4' | O4' | C4B | H4B3 | 54.8° | 60.0° |
| O4' | C4' | C3' | O3' | 0.8° | 0.3° |
| O4' | C4' | C3' | C2' | 177.4° | 180.0° |
| C3' | C4' | O4' | C4B | 6.6° | 90.0° |
| C4' | C3' | O3' | C2' | 176.5° | 179.7° |
| C4' | C3' | O3' | C3B | 176.7° | 179.7° |
| C4' | C3' | C2' | H2' | 177.2° | 179.7° |
| O4' | C4B | H4B1 | H4B2 | 124.5° | 119.9° |
| O4' | C4B | H4B1 | H4B3 | 117.8° | 120.0° |
| O4' | C4B | H4B2 | H4B3 | 125.2° | 120.0° |
| H4B1 | C4B | H4B2 | H4B3 | 109.5° | 120.1° |
| C3' | O3' | C3B | H3B1 | 54.7° | 180.0° |
| C3' | O3' | C3B | H3B2 | 180.0° | 60.0° |
| C3' | O3' | C3B | H3B3 | 54.8° | 60.0° |
| O3' | C3' | C2' | H2' | 1.1° | 0.0° |
| C2' | C3' | O3' | C3B | 6.8° | 0.0° |
| O3' | C3B | H3B1 | H3B2 | 126.8° | 120.0° |
| O3' | C3B | H3B1 | H3B3 | 116.6° | 120.0° |
| O3' | C3B | H3B2 | H3B3 | 125.2° | 120.0° |
| H3B1 | C3B | H3B2 | H3B3 | 109.5° | 120.0° |
| H9'1 | C9' | H9'2 | H9'3 | 109.4° | 120.0° |
| H511 | C51 | H512 | H513 | 109.5° | 120.0° |
