PMD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2B | N1' | doub | 1.32Å | 1.36Å | Aromatic |
| C2B | N2' | sing | 1.38Å | 1.35Å | |
| C2B | N3' | sing | 1.33Å | 1.37Å | Aromatic |
| C4B | C4 | sing | 1.46Å | 1.43Å | Aromatic |
| C4B | N3' | doub | 1.33Å | 1.38Å | Aromatic |
| C4B | N4' | sing | 1.38Å | 1.35Å | |
| C4 | C8 | doub | 1.42Å | 1.44Å | Aromatic |
| C4 | N5' | sing | 1.33Å | 1.40Å | Aromatic |
| C6B | C7B | sing | 1.39Å | 1.44Å | Aromatic |
| C6B | C9B | sing | 1.51Å | 1.58Å | |
| C6B | N5' | doub | 1.32Å | 1.37Å | Aromatic |
| C7B | N8' | doub | 1.32Å | 1.37Å | Aromatic |
| C7B | H7'1 | sing | 1.08Å | 1.08Å | |
| C8 | N1' | sing | 1.34Å | 1.37Å | Aromatic |
| C8 | N8' | sing | 1.33Å | 1.37Å | Aromatic |
| C9B | N0' | sing | 1.47Å | 1.55Å | |
| C9B | H9'1 | sing | 1.09Å | 1.10Å | |
| C9B | H9'2 | sing | 1.09Å | 1.10Å | |
| C0' | C1' | doub | 1.48Å | 1.45Å | Aromatic |
| C0' | C5' | sing | 1.31Å | 1.47Å | Aromatic |
| C0' | N0' | sing | 1.39Å | 1.46Å | |
| C1' | C2' | sing | 1.31Å | 1.41Å | Aromatic |
| C1' | H1'1 | sing | 1.08Å | 1.08Å | |
| C2' | C3' | doub | 1.47Å | 1.41Å | Aromatic |
| C2' | H2'1 | sing | 1.08Å | 1.08Å | |
| C3' | C4' | sing | 1.31Å | 1.41Å | Aromatic |
| C3' | H3'1 | sing | 1.08Å | 1.08Å | |
| C4' | C5' | doub | 1.48Å | 1.42Å | Aromatic |
| C4' | H4'1 | sing | 1.08Å | 1.08Å | |
| C5' | C6' | sing | 1.47Å | 1.54Å | |
| C6' | C6 | doub | 1.30Å | 1.35Å | |
| C6' | H6'1 | sing | 1.08Å | 1.08Å | |
| C6 | C7' | sing | 1.47Å | 1.53Å | |
| C6 | H61 | sing | 1.08Å | 1.08Å | |
| C7' | C8' | doub | 1.48Å | 1.44Å | Aromatic |
| C7' | CC' | sing | 1.31Å | 1.47Å | Aromatic |
| C8' | C9' | sing | 1.31Å | 1.42Å | Aromatic |
| C8' | H8'1 | sing | 1.08Å | 1.08Å | |
| C9' | CA' | doub | 1.47Å | 1.42Å | Aromatic |
| C9' | H9B | sing | 1.08Å | 1.08Å | |
| CA' | CB' | sing | 1.31Å | 1.41Å | Aromatic |
| CA' | H10' | sing | 1.08Å | 1.08Å | |
| CB' | CC' | doub | 1.48Å | 1.45Å | Aromatic |
| CB' | H11' | sing | 1.08Å | 1.08Å | |
| CC' | N0' | sing | 1.39Å | 1.51Å | |
| N2' | HN21 | sing | 0.97Å | 1.00Å | |
| N2' | HN22 | sing | 0.97Å | 1.00Å | |
| N4' | HN41 | sing | 0.97Å | 1.00Å | |
| N4' | HN42 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1' | C2B | N2' | 119.5° | 118.3° |
| N1' | C2B | N3' | 119.8° | 123.5° |
| C2B | N1' | C8 | 121.1° | 121.1° |
| N2' | C2B | N3' | 120.7° | 118.2° |
| C2B | N2' | HN21 | 125.1° | 120.1° |
| C2B | N2' | HN22 | 109.8° | 119.9° |
| C2B | N3' | C4B | 122.6° | 121.3° |
| C4 | C4B | N3' | 118.9° | 117.7° |
| C4 | C4B | N4' | 120.9° | 121.1° |
| C4B | C4 | C8 | 117.2° | 117.8° |
| C4B | C4 | N5' | 123.1° | 122.2° |
| N3' | C4B | N4' | 120.3° | 121.1° |
| C4B | N4' | HN41 | 125.7° | 120.0° |
| C4B | N4' | HN42 | 108.6° | 120.0° |
| C8 | C4 | N5' | 119.6° | 120.0° |
| C4 | C8 | N1' | 120.4° | 118.6° |
| C4 | C8 | N8' | 119.3° | 119.4° |
| C4 | N5' | C6B | 120.3° | 119.6° |
| C7B | C6B | C9B | 118.7° | 119.7° |
| C7B | C6B | N5' | 119.1° | 120.6° |
| C6B | C7B | N8' | 120.6° | 120.8° |
| C6B | C7B | H7'1 | 119.7° | 119.6° |
| C9B | C6B | N5' | 122.1° | 119.7° |
| C6B | C9B | N0' | 114.8° | 109.5° |
| C6B | C9B | H9'1 | 106.5° | 109.4° |
| C6B | C9B | H9'2 | 107.8° | 109.5° |
| N8' | C7B | H7'1 | 119.7° | 119.6° |
| C7B | N8' | C8 | 121.1° | 119.6° |
| N1' | C8 | N8' | 120.3° | 122.0° |
| N0' | C9B | H9'1 | 106.5° | 109.4° |
| N0' | C9B | H9'2 | 107.7° | 109.5° |
| C9B | N0' | C0' | 108.0° | 106.7° |
| C9B | N0' | CC' | 115.4° | 106.7° |
| H9'1 | C9B | H9'2 | 113.7° | 109.5° |
| C1' | C0' | C5' | 119.3° | 119.5° |
| C1' | C0' | N0' | 119.2° | 118.4° |
| C0' | C1' | C2' | 120.7° | 120.5° |
| C0' | C1' | H1'1 | 119.6° | 119.8° |
| C5' | C0' | N0' | 120.6° | 122.1° |
| C0' | C5' | C4' | 117.2° | 120.1° |
| C0' | C5' | C6' | 126.1° | 121.2° |
| C0' | N0' | CC' | 121.1° | 110.3° |
| C2' | C1' | H1'1 | 119.7° | 119.7° |
| C1' | C2' | C3' | 119.6° | 119.9° |
| C1' | C2' | H2'1 | 120.2° | 120.1° |
| C3' | C2' | H2'1 | 120.2° | 120.0° |
| C2' | C3' | C4' | 120.6° | 119.7° |
| C2' | C3' | H3'1 | 119.7° | 120.1° |
| C4' | C3' | H3'1 | 119.7° | 120.1° |
| C3' | C4' | C5' | 122.4° | 120.3° |
| C3' | C4' | H4'1 | 118.8° | 119.8° |
| C5' | C4' | H4'1 | 118.8° | 119.8° |
| C4' | C5' | C6' | 116.2° | 118.7° |
| C5' | C6' | C6 | 128.4° | 124.3° |
| C5' | C6' | H6'1 | 115.8° | 117.9° |
| C6 | C6' | H6'1 | 115.8° | 117.8° |
| C6' | C6 | C7' | 127.4° | 124.3° |
| C6' | C6 | H61 | 116.3° | 117.8° |
| C7' | C6 | H61 | 116.3° | 117.9° |
| C6 | C7' | C8' | 115.5° | 118.7° |
| C6 | C7' | CC' | 126.1° | 121.3° |
| C8' | C7' | CC' | 118.1° | 120.0° |
| C7' | C8' | C9' | 121.6° | 120.3° |
| C7' | C8' | H8'1 | 119.2° | 119.9° |
| C7' | CC' | CB' | 118.2° | 119.6° |
| C7' | CC' | N0' | 120.5° | 121.9° |
| C9' | C8' | H8'1 | 119.2° | 119.8° |
| C8' | C9' | CA' | 120.2° | 119.7° |
| C8' | C9' | H9B | 119.9° | 120.2° |
| CA' | C9' | H9B | 119.9° | 120.1° |
| C9' | CA' | CB' | 119.7° | 119.9° |
| C9' | CA' | H10' | 120.2° | 120.0° |
| CB' | CA' | H10' | 120.1° | 120.1° |
| CA' | CB' | CC' | 121.8° | 120.4° |
| CA' | CB' | H11' | 119.1° | 119.7° |
| CC' | CB' | H11' | 119.1° | 119.8° |
| CB' | CC' | N0' | 120.7° | 118.4° |
| HN21 | N2' | HN22 | 125.1° | 120.0° |
| HN41 | N4' | HN42 | 125.7° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1' | C2B | N2' | N3' | 179.7° | 179.7° |
| N1' | C2B | N3' | C4B | 1.1° | 0.3° |
| C2B | N1' | C8 | C4 | 1.5° | 0.5° |
| C2B | N1' | C8 | N8' | 179.4° | 179.8° |
| N1' | C2B | N2' | HN21 | 0.0° | 179.7° |
| N1' | C2B | N2' | HN22 | 180.0° | 0.5° |
| N2' | C2B | N3' | C4B | 178.6° | 180.0° |
| N2' | C2B | N1' | C8 | 178.3° | 179.8° |
| C2B | N2' | HN21 | HN22 | 180.0° | 179.7° |
| C2B | N3' | C4B | C4 | 0.9° | 0.0° |
| C2B | N3' | C4B | N4' | 179.5° | 180.0° |
| N3' | C2B | N1' | C8 | 1.5° | 0.5° |
| N3' | C2B | N2' | HN21 | 179.7° | 0.0° |
| N3' | C2B | N2' | HN22 | 0.2° | 179.7° |
| C4 | C4B | N3' | N4' | 179.6° | 180.0° |
| C4B | C4 | C8 | N5' | 178.2° | 180.0° |
| C4B | C4 | N5' | C6B | 179.1° | 179.9° |
| C4B | C4 | C8 | N1' | 1.2° | 0.2° |
| C4B | C4 | C8 | N8' | 179.7° | 179.9° |
| C4 | C4B | N4' | HN41 | 179.8° | 174.9° |
| C4 | C4B | N4' | HN42 | 0.2° | 5.1° |
| N3' | C4B | C4 | C8 | 0.9° | 0.0° |
| N3' | C4B | C4 | N5' | 179.1° | 180.0° |
| N3' | C4B | N4' | HN41 | 0.2° | 5.1° |
| N3' | C4B | N4' | HN42 | 179.8° | 174.9° |
| N4' | C4B | C4 | C8 | 179.5° | 180.0° |
| N4' | C4B | C4 | N5' | 1.3° | 0.0° |
| C4B | N4' | HN41 | HN42 | 180.0° | 180.0° |
| C8 | C4 | N5' | C6B | 1.0° | 0.0° |
| C4 | C8 | N8' | C7B | 1.3° | 0.0° |
| C4 | C8 | N1' | N8' | 179.0° | 179.7° |
| C4 | N5' | C6B | C7B | 0.3° | 0.0° |
| C4 | N5' | C6B | C9B | 178.3° | 180.0° |
| N5' | C4 | C8 | N1' | 179.5° | 179.8° |
| N5' | C4 | C8 | N8' | 1.5° | 0.0° |
| C7B | C6B | C9B | N5' | 178.0° | 180.0° |
| C6B | C7B | N8' | H7'1 | 180.0° | 180.0° |
| C6B | C7B | N8' | C8 | 0.7° | 0.0° |
| C7B | C6B | C9B | N0' | 37.5° | 94.0° |
| C7B | C6B | C9B | H9'1 | 80.1° | 146.0° |
| C7B | C6B | C9B | H9'2 | 157.5° | 26.1° |
| C9B | C6B | C7B | N8' | 178.2° | 180.0° |
| C9B | C6B | C7B | H7'1 | 1.8° | 0.0° |
| C6B | C9B | N0' | H9'1 | 117.6° | 119.9° |
| C6B | C9B | N0' | H9'2 | 120.0° | 120.1° |
| C6B | C9B | H9'1 | H9'2 | 118.5° | 120.0° |
| C6B | C9B | N0' | C0' | 159.8° | 167.3° |
| C6B | C9B | N0' | CC' | 61.1° | 74.7° |
| N5' | C6B | C7B | N8' | 0.1° | 0.0° |
| N5' | C6B | C7B | H7'1 | 179.9° | 180.0° |
| N5' | C6B | C9B | N0' | 144.5° | 86.0° |
| N5' | C6B | C9B | H9'1 | 97.9° | 34.0° |
| N5' | C6B | C9B | H9'2 | 24.5° | 154.0° |
| C7B | N8' | C8 | N1' | 179.6° | 179.8° |
| H7'1 | C7B | N8' | C8 | 179.3° | 179.9° |
| N0' | C9B | H9'1 | H9'2 | 118.5° | 120.0° |
| C9B | N0' | C0' | C1' | 4.2° | 4.1° |
| C9B | N0' | C0' | C5' | 165.0° | 176.0° |
| C9B | N0' | C0' | CC' | 136.3° | 115.6° |
| C9B | N0' | CC' | C7' | 167.9° | 176.0° |
| C9B | N0' | CC' | CB' | 3.3° | 3.5° |
| H9'1 | C9B | N0' | C0' | 42.2° | 72.8° |
| H9'1 | C9B | N0' | CC' | 178.7° | 45.2° |
| H9'2 | C9B | N0' | C0' | 80.1° | 47.2° |
| H9'2 | C9B | N0' | CC' | 59.0° | 165.2° |
| C1' | C0' | C5' | N0' | 169.2° | 179.9° |
| C0' | C1' | C2' | H1'1 | 180.0° | 180.0° |
| C0' | C1' | C2' | C3' | 3.5° | 0.0° |
| C0' | C1' | C2' | H2'1 | 176.5° | 180.0° |
| C1' | C0' | C5' | C4' | 4.2° | 0.6° |
| C1' | C0' | C5' | C6' | 176.0° | 179.2° |
| C1' | C0' | N0' | CC' | 132.2° | 111.5° |
| C5' | C0' | C1' | C2' | 0.2° | 0.4° |
| C5' | C0' | C1' | H1'1 | 179.7° | 179.6° |
| C0' | C5' | C4' | C3' | 5.7° | 0.4° |
| C0' | C5' | C4' | C6' | 172.6° | 179.8° |
| C0' | C5' | C4' | H4'1 | 174.3° | 179.6° |
| C0' | C5' | C6' | C6 | 24.1° | 39.1° |
| C0' | C5' | C6' | H6'1 | 155.9° | 140.9° |
| C5' | C0' | N0' | CC' | 58.6° | 68.4° |
| N0' | C0' | C1' | C2' | 169.6° | 179.8° |
| N0' | C0' | C1' | H1'1 | 10.4° | 0.2° |
| N0' | C0' | C5' | C4' | 165.0° | 179.6° |
| N0' | C0' | C5' | C6' | 6.8° | 0.7° |
| C0' | N0' | CC' | C7' | 58.7° | 68.4° |
| C0' | N0' | CC' | CB' | 130.0° | 112.1° |
| C1' | C2' | C3' | H2'1 | 180.0° | 180.0° |
| C1' | C2' | C3' | C4' | 2.1° | 0.2° |
| C1' | C2' | C3' | H3'1 | 177.9° | 179.8° |
| H1'1 | C1' | C2' | C3' | 176.5° | 180.0° |
| H1'1 | C1' | C2' | H2'1 | 3.5° | 0.0° |
| C2' | C3' | C4' | H3'1 | 180.0° | 180.0° |
| C2' | C3' | C4' | C5' | 2.6° | 0.0° |
| C2' | C3' | C4' | H4'1 | 177.4° | 179.9° |
| H2'1 | C2' | C3' | C4' | 177.8° | 179.8° |
| H2'1 | C2' | C3' | H3'1 | 2.1° | 0.2° |
| C3' | C4' | C5' | H4'1 | 180.0° | 180.0° |
| C3' | C4' | C5' | C6' | 178.3° | 179.4° |
| H3'1 | C3' | C4' | C5' | 177.4° | 180.0° |
| H3'1 | C3' | C4' | H4'1 | 2.7° | 0.1° |
| C4' | C5' | C6' | C6 | 164.1° | 140.6° |
| C4' | C5' | C6' | H6'1 | 15.9° | 39.3° |
| H4'1 | C4' | C5' | C6' | 1.7° | 0.6° |
| C5' | C6' | C6 | H6'1 | 180.0° | 179.9° |
| C5' | C6' | C6 | C7' | 0.7° | 0.1° |
| C5' | C6' | C6 | H61 | 179.3° | 179.9° |
| C6' | C6 | C7' | H61 | 180.0° | 180.0° |
| C6' | C6 | C7' | C8' | 163.4° | 141.0° |
| C6' | C6 | C7' | CC' | 22.8° | 39.0° |
| H6'1 | C6' | C6 | C7' | 179.3° | 180.0° |
| H6'1 | C6' | C6 | H61 | 0.7° | 0.0° |
| C6 | C7' | C8' | CC' | 174.3° | 180.0° |
| C6 | C7' | C8' | C9' | 179.4° | 179.8° |
| C6 | C7' | C8' | H8'1 | 0.6° | 0.3° |
| C6 | C7' | CC' | CB' | 178.1° | 179.7° |
| C6 | C7' | CC' | N0' | 6.7° | 0.8° |
| H61 | C6 | C7' | C8' | 16.5° | 39.0° |
| H61 | C6 | C7' | CC' | 157.3° | 141.0° |
| C7' | C8' | C9' | H8'1 | 180.0° | 180.0° |
| C7' | C8' | C9' | CA' | 1.3° | 0.0° |
| C7' | C8' | C9' | H9B | 178.7° | 180.0° |
| C8' | C7' | CC' | CB' | 4.5° | 0.2° |
| C8' | C7' | CC' | N0' | 166.9° | 179.2° |
| CC' | C7' | C8' | C9' | 5.0° | 0.2° |
| CC' | C7' | C8' | H8'1 | 174.9° | 179.8° |
| C7' | CC' | CB' | CA' | 0.3° | 0.1° |
| C7' | CC' | CB' | N0' | 171.4° | 179.5° |
| C7' | CC' | CB' | H11' | 179.7° | 179.8° |
| C8' | C9' | CA' | H9B | 180.0° | 179.9° |
| C8' | C9' | CA' | CB' | 3.0° | 0.2° |
| C8' | C9' | CA' | H10' | 177.0° | 179.8° |
| H8'1 | C8' | C9' | CA' | 178.7° | 180.0° |
| H8'1 | C8' | C9' | H9B | 1.3° | 0.1° |
| C9' | CA' | CB' | H10' | 180.0° | 180.0° |
| C9' | CA' | CB' | CC' | 3.5° | 0.1° |
| C9' | CA' | CB' | H11' | 176.5° | 179.9° |
| H9B | C9' | CA' | CB' | 177.0° | 179.9° |
| H9B | C9' | CA' | H10' | 3.0° | 0.1° |
| CA' | CB' | CC' | H11' | 180.0° | 179.8° |
| CA' | CB' | CC' | N0' | 171.1° | 179.4° |
| H10' | CA' | CB' | CC' | 176.5° | 179.9° |
| H10' | CA' | CB' | H11' | 3.5° | 0.0° |
| H11' | CB' | CC' | N0' | 8.9° | 0.8° |
