ZD2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C6 | sing | 1.38Å | 1.35Å | |
| N7 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.35Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.34Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.47Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.46Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.45Å | |
| N1 | C2 | doub | 1.32Å | 1.35Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| C1' | C2' | sing | 1.53Å | 1.52Å | |
| C2 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| C3' | C2' | sing | 1.53Å | 1.53Å | |
| C3' | C4' | sing | 1.51Å | 1.51Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| OXT | C4' | doub | 1.21Å | 1.25Å | |
| C4' | O | sing | 1.34Å | 1.24Å | |
| O | H1 | sing | 0.97Å | 0.95Å | |
| C3' | H2 | sing | 1.09Å | 1.10Å | |
| O3' | H3 | sing | 0.97Å | 0.95Å | |
| C2' | H4 | sing | 1.09Å | 1.10Å | |
| C2' | H5 | sing | 1.09Å | 1.10Å | |
| C1' | H6 | sing | 1.09Å | 1.10Å | |
| C1' | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| N6 | H10 | sing | 0.97Å | 1.00Å | |
| N6 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C6 | C5 | 121.3° | 120.8° |
| N6 | C6 | N1 | 121.0° | 120.8° |
| C6 | N6 | H10 | 109.5° | 120.0° |
| C6 | N6 | H11 | 109.5° | 120.0° |
| C8 | N7 | C5 | 107.5° | 109.5° |
| N7 | C8 | N9 | 110.4° | 109.9° |
| N7 | C8 | H8 | 124.8° | 125.1° |
| N7 | C5 | C6 | 136.2° | 134.7° |
| N7 | C5 | C4 | 106.8° | 107.1° |
| C8 | N9 | C4 | 109.2° | 107.5° |
| C8 | N9 | C1' | 125.7° | 126.2° |
| N9 | C8 | H8 | 124.8° | 125.0° |
| C5 | C6 | N1 | 117.6° | 118.4° |
| C6 | C5 | C4 | 117.0° | 118.2° |
| C6 | N1 | C2 | 122.3° | 121.2° |
| C5 | C4 | N9 | 106.1° | 106.0° |
| C5 | C4 | N3 | 119.4° | 119.1° |
| C4 | N9 | C1' | 125.0° | 126.3° |
| N9 | C4 | N3 | 134.5° | 134.9° |
| N9 | C1' | C2' | 110.8° | 109.5° |
| N9 | C1' | H6 | 109.2° | 109.4° |
| N9 | C1' | H7 | 109.1° | 109.5° |
| N1 | C2 | N3 | 122.9° | 122.5° |
| N1 | C2 | H9 | 118.5° | 118.7° |
| C4 | N3 | C2 | 120.7° | 120.6° |
| C1' | C2' | C3' | 111.1° | 109.5° |
| C1' | C2' | H4 | 109.1° | 109.5° |
| C1' | C2' | H5 | 109.1° | 109.4° |
| C2' | C1' | H6 | 109.1° | 109.5° |
| C2' | C1' | H7 | 109.2° | 109.5° |
| N3 | C2 | H9 | 118.6° | 118.8° |
| C2' | C3' | C4' | 110.6° | 109.4° |
| C2' | C3' | O3' | 108.8° | 109.4° |
| C2' | C3' | H2 | 108.4° | 109.5° |
| C3' | C2' | H4 | 109.1° | 109.5° |
| C3' | C2' | H5 | 109.1° | 109.5° |
| C4' | C3' | O3' | 110.5° | 109.5° |
| C3' | C4' | OXT | 119.7° | 120.0° |
| C3' | C4' | O | 119.1° | 120.0° |
| C4' | C3' | H2 | 108.7° | 109.5° |
| O3' | C3' | H2 | 109.7° | 109.5° |
| C3' | O3' | H3 | 109.5° | 114.0° |
| OXT | C4' | O | 121.2° | 120.0° |
| C4' | O | H1 | 109.5° | 117.0° |
| H4 | C2' | H5 | 109.5° | 109.5° |
| H6 | C1' | H7 | 109.5° | 109.5° |
| H10 | N6 | H11 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C6 | C5 | N7 | 0.6° | 0.0° |
| N6 | C6 | C5 | N1 | 179.3° | 180.0° |
| N6 | C6 | C5 | C4 | 179.7° | 180.0° |
| N6 | C6 | N1 | C2 | 179.8° | 180.0° |
| C6 | N6 | H10 | H11 | 120.0° | 180.0° |
| N7 | C8 | N9 | H8 | 180.0° | 179.5° |
| C8 | N7 | C5 | C6 | 179.5° | 179.7° |
| C8 | N7 | C5 | C4 | 0.2° | 0.3° |
| N7 | C8 | N9 | C4 | 0.1° | 0.5° |
| N7 | C8 | N9 | C1' | 179.9° | 179.8° |
| C5 | N7 | C8 | N9 | 0.2° | 0.5° |
| N7 | C5 | C6 | C4 | 179.7° | 180.0° |
| N7 | C5 | C6 | N1 | 179.9° | 179.9° |
| N7 | C5 | C4 | N9 | 0.2° | 0.0° |
| N7 | C5 | C4 | N3 | 179.8° | 180.0° |
| C5 | N7 | C8 | H8 | 179.8° | 180.0° |
| C8 | N9 | C4 | C5 | 0.1° | 0.3° |
| C8 | N9 | C4 | C1' | 179.8° | 179.7° |
| C8 | N9 | C4 | N3 | 179.6° | 179.8° |
| C8 | N9 | C1' | C2' | 115.6° | 95.3° |
| C8 | N9 | C1' | H6 | 4.6° | 144.7° |
| C8 | N9 | C1' | H7 | 124.2° | 24.7° |
| C6 | C5 | C4 | N9 | 179.6° | 180.0° |
| C5 | C6 | N1 | C2 | 0.9° | 0.0° |
| C6 | C5 | C4 | N3 | 0.0° | 0.0° |
| C5 | C6 | N6 | H10 | 179.2° | 0.0° |
| C5 | C6 | N6 | H11 | 60.8° | 180.0° |
| N1 | C6 | C5 | C4 | 0.5° | 0.0° |
| C6 | N1 | C2 | N3 | 0.9° | 0.0° |
| C6 | N1 | C2 | H9 | 179.1° | 180.0° |
| N1 | C6 | N6 | H10 | 0.0° | 180.0° |
| N1 | C6 | N6 | H11 | 120.0° | 0.0° |
| C5 | C4 | N9 | N3 | 179.5° | 179.9° |
| C5 | C4 | N9 | C1' | 179.8° | 180.0° |
| C5 | C4 | N3 | C2 | 0.0° | 0.0° |
| C4 | N9 | C1' | C2' | 64.6° | 85.0° |
| N9 | C4 | N3 | C2 | 179.5° | 179.9° |
| C4 | N9 | C1' | H6 | 175.3° | 35.0° |
| C4 | N9 | C1' | H7 | 55.6° | 154.9° |
| C4 | N9 | C8 | H8 | 179.9° | 180.0° |
| C1' | N9 | C4 | N3 | 0.3° | 0.0° |
| N9 | C1' | C2' | H6 | 120.2° | 119.9° |
| N9 | C1' | C2' | H7 | 120.2° | 120.1° |
| N9 | C1' | C2' | C3' | 104.2° | 179.9° |
| N9 | C1' | C2' | H4 | 135.5° | 60.0° |
| N9 | C1' | C2' | H5 | 16.0° | 60.0° |
| N9 | C1' | H6 | H7 | 119.4° | 120.0° |
| C1' | N9 | C8 | H8 | 0.1° | 0.3° |
| N1 | C2 | N3 | C4 | 0.4° | 0.0° |
| N1 | C2 | N3 | H9 | 180.0° | 180.0° |
| C4 | N3 | C2 | H9 | 179.6° | 180.0° |
| C1' | C2' | C3' | H4 | 120.3° | 120.0° |
| C1' | C2' | C3' | H5 | 120.3° | 119.9° |
| C1' | C2' | C3' | C4' | 78.2° | 175.0° |
| C1' | C2' | C3' | O3' | 160.2° | 65.0° |
| C1' | C2' | C3' | H2 | 41.0° | 55.0° |
| C1' | C2' | H4 | H5 | 119.2° | 119.9° |
| C2' | C1' | H6 | H7 | 119.4° | 120.0° |
| C2' | C3' | C4' | O3' | 120.6° | 119.9° |
| C2' | C3' | C4' | H2 | 119.0° | 120.0° |
| C2' | C3' | O3' | H2 | 118.5° | 120.0° |
| C2' | C3' | C4' | OXT | 43.0° | 115.0° |
| C2' | C3' | C4' | O | 137.6° | 65.3° |
| C2' | C3' | O3' | H3 | 180.0° | 59.9° |
| C3' | C2' | H4 | H5 | 119.3° | 120.0° |
| C3' | C2' | C1' | H6 | 16.0° | 60.0° |
| C3' | C2' | C1' | H7 | 135.6° | 60.0° |
| C4' | C3' | O3' | H2 | 119.9° | 120.0° |
| C3' | C4' | OXT | O | 179.4° | 179.7° |
| C3' | C4' | O | H1 | 179.4° | 179.7° |
| C4' | C3' | O3' | H3 | 58.3° | 60.0° |
| C4' | C3' | C2' | H4 | 42.1° | 64.9° |
| C4' | C3' | C2' | H5 | 161.6° | 55.1° |
| O3' | C3' | C4' | OXT | 163.6° | 4.9° |
| O3' | C3' | C4' | O | 17.0° | 174.7° |
| O3' | C3' | C2' | H4 | 79.5° | 55.0° |
| O3' | C3' | C2' | H5 | 40.0° | 175.0° |
| OXT | C4' | O | H1 | 0.0° | 0.0° |
| OXT | C4' | C3' | H2 | 75.9° | 125.0° |
| O | C4' | C3' | H2 | 103.4° | 54.7° |
| H2 | C3' | O3' | H3 | 61.5° | 180.0° |
| H2 | C3' | C2' | H4 | 161.2° | 175.0° |
| H2 | C3' | C2' | H5 | 79.3° | 64.9° |
| H4 | C2' | C1' | H6 | 104.3° | 179.9° |
| H4 | C2' | C1' | H7 | 15.3° | 60.1° |
| H5 | C2' | C1' | H6 | 136.2° | 60.0° |
| H5 | C2' | C1' | H7 | 104.1° | 180.0° |
