9ZD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C6 | sing | 1.38Å | 1.36Å | |
| C6 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.46Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.34Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.46Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.32Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.34Å | Aromatic |
| N9 | C1' | sing | 1.46Å | 1.47Å | |
| C1' | C2' | sing | 1.54Å | 1.52Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| O2' | C2' | sing | 1.43Å | 1.44Å | |
| C2' | C3' | sing | 1.54Å | 1.53Å | |
| O4' | C4' | sing | 1.44Å | 1.43Å | |
| C3' | C4' | sing | 1.54Å | 1.54Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| O11 | C7 | sing | 1.34Å | 1.44Å | |
| O11 | C12 | sing | 1.45Å | 1.43Å | |
| O10 | C7 | doub | 1.21Å | 1.22Å | |
| O5' | P | sing | 1.61Å | 1.59Å | |
| C7 | C3 | sing | 1.51Å | 1.48Å | |
| O2P | P | doub | 1.48Å | 1.50Å | |
| N2 | P | sing | 1.68Å | 1.73Å | |
| N2 | C3 | sing | 1.47Å | 1.45Å | |
| P | O3P | sing | 1.61Å | 1.50Å | |
| C3 | C9 | sing | 1.53Å | 1.52Å | |
| O3P | H1 | sing | 0.97Å | 0.95Å | |
| C5' | H2 | sing | 1.09Å | 1.10Å | |
| C5' | H3 | sing | 1.09Å | 1.10Å | |
| C4' | H4 | sing | 1.09Å | 1.10Å | |
| C3' | H5 | sing | 1.09Å | 1.10Å | |
| O3' | H6 | sing | 0.97Å | 0.95Å | |
| C2' | H7 | sing | 1.09Å | 1.10Å | |
| O2' | H8 | sing | 0.97Å | 0.95Å | |
| C1' | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| N6 | H12 | sing | 0.97Å | 1.00Å | |
| N6 | H13 | sing | 0.97Å | 1.00Å | |
| N2 | H14 | sing | 1.01Å | 1.00Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C6 | N1 | 122.1° | 120.8° |
| N6 | C6 | C5 | 120.8° | 120.8° |
| C6 | N6 | H12 | 109.5° | 120.0° |
| C6 | N6 | H13 | 109.5° | 120.1° |
| N1 | C6 | C5 | 117.0° | 118.4° |
| C6 | N1 | C2 | 122.4° | 121.2° |
| C6 | C5 | N7 | 135.6° | 134.7° |
| C6 | C5 | C4 | 117.1° | 118.2° |
| N1 | C2 | N3 | 124.2° | 122.5° |
| N1 | C2 | H11 | 117.9° | 118.8° |
| N7 | C5 | C4 | 107.3° | 107.1° |
| C5 | N7 | C8 | 107.7° | 109.5° |
| C5 | C4 | N3 | 120.9° | 119.1° |
| C5 | C4 | N9 | 105.2° | 106.0° |
| C2 | N3 | C4 | 118.4° | 120.6° |
| N3 | C2 | H11 | 117.9° | 118.7° |
| N7 | C8 | N9 | 109.8° | 109.9° |
| N7 | C8 | H10 | 125.1° | 125.0° |
| N3 | C4 | N9 | 133.8° | 134.9° |
| C4 | N9 | C8 | 110.0° | 107.4° |
| C4 | N9 | C1' | 123.0° | 126.3° |
| C8 | N9 | C1' | 126.9° | 126.3° |
| N9 | C8 | H10 | 125.1° | 125.1° |
| N9 | C1' | C2' | 114.6° | 110.3° |
| N9 | C1' | O4' | 107.6° | 110.4° |
| N9 | C1' | H9 | 110.2° | 110.4° |
| C2' | C1' | O4' | 103.7° | 104.9° |
| C1' | C2' | O2' | 112.2° | 110.6° |
| C1' | C2' | C3' | 102.2° | 104.1° |
| C1' | C2' | H7 | 108.6° | 110.5° |
| C2' | C1' | H9 | 109.5° | 110.4° |
| C1' | O4' | C4' | 106.1° | 105.2° |
| O4' | C1' | H9 | 110.9° | 110.3° |
| O2' | C2' | C3' | 115.2° | 110.5° |
| O2' | C2' | H7 | 109.7° | 110.5° |
| C2' | O2' | H8 | 109.5° | 114.0° |
| C2' | C3' | C4' | 103.2° | 104.1° |
| C2' | C3' | O3' | 112.6° | 110.5° |
| C2' | C3' | H5 | 109.4° | 110.7° |
| C3' | C2' | H7 | 108.5° | 110.5° |
| O4' | C4' | C3' | 107.2° | 104.9° |
| O4' | C4' | C5' | 108.1° | 110.4° |
| O4' | C4' | H4 | 110.0° | 110.4° |
| C4' | C3' | O3' | 111.6° | 110.5° |
| C3' | C4' | C5' | 114.2° | 110.4° |
| C3' | C4' | H4 | 108.5° | 110.4° |
| C4' | C3' | H5 | 109.2° | 110.6° |
| O3' | C3' | H5 | 110.6° | 110.5° |
| C3' | O3' | H6 | 109.5° | 114.0° |
| C4' | C5' | O5' | 105.9° | 109.5° |
| C4' | C5' | H2 | 110.4° | 109.5° |
| C4' | C5' | H3 | 110.4° | 109.5° |
| C5' | C4' | H4 | 108.8° | 110.3° |
| C5' | O5' | P | 121.8° | 123.0° |
| O5' | C5' | H2 | 110.3° | 109.4° |
| O5' | C5' | H3 | 110.3° | 109.5° |
| C7 | O11 | C12 | 119.5° | 117.0° |
| O11 | C7 | O10 | 120.4° | 119.9° |
| O11 | C7 | C3 | 119.0° | 120.0° |
| O11 | C12 | H19 | 109.5° | 109.5° |
| O11 | C12 | H20 | 109.5° | 109.4° |
| O11 | C12 | H21 | 109.5° | 109.5° |
| O10 | C7 | C3 | 120.5° | 120.0° |
| O5' | P | O2P | 111.4° | 109.5° |
| O5' | P | N2 | 104.1° | 109.5° |
| O5' | P | O3P | 105.3° | 109.5° |
| C7 | C3 | N2 | 110.8° | 109.5° |
| C7 | C3 | C9 | 108.6° | 109.5° |
| C7 | C3 | H15 | 108.9° | 109.5° |
| O2P | P | N2 | 106.2° | 109.5° |
| O2P | P | O3P | 117.8° | 109.5° |
| P | N2 | C3 | 116.5° | 111.0° |
| N2 | P | O3P | 111.2° | 109.5° |
| P | N2 | H14 | 107.7° | 111.0° |
| N2 | C3 | C9 | 110.9° | 109.4° |
| C3 | N2 | H14 | 107.7° | 111.0° |
| N2 | C3 | H15 | 109.2° | 109.5° |
| P | O3P | H1 | 109.5° | 114.0° |
| C9 | C3 | H15 | 108.3° | 109.5° |
| C3 | C9 | H16 | 109.5° | 109.5° |
| C3 | C9 | H17 | 109.4° | 109.5° |
| C3 | C9 | H18 | 109.5° | 109.4° |
| H2 | C5' | H3 | 109.5° | 109.4° |
| H12 | N6 | H13 | 109.5° | 119.9° |
| H16 | C9 | H17 | 109.5° | 109.5° |
| H16 | C9 | H18 | 109.4° | 109.5° |
| H17 | C9 | H18 | 109.5° | 109.5° |
| H19 | C12 | H20 | 109.5° | 109.4° |
| H19 | C12 | H21 | 109.5° | 109.4° |
| H20 | C12 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C6 | N1 | C5 | 179.9° | 179.5° |
| N6 | C6 | N1 | C2 | 179.1° | 180.0° |
| N6 | C6 | C5 | N7 | 1.1° | 0.3° |
| N6 | C6 | C5 | C4 | 179.3° | 179.9° |
| C6 | N6 | H12 | H13 | 120.0° | 179.9° |
| N1 | C6 | C5 | N7 | 179.0° | 179.9° |
| N1 | C6 | C5 | C4 | 0.8° | 0.4° |
| C6 | N1 | C2 | N3 | 0.2° | 0.3° |
| C6 | N1 | C2 | H11 | 179.8° | 179.8° |
| N1 | C6 | N6 | H12 | 0.0° | 0.1° |
| N1 | C6 | N6 | H13 | 120.0° | 180.0° |
| C5 | C6 | N1 | C2 | 1.0° | 0.4° |
| C6 | C5 | N7 | C4 | 178.3° | 179.8° |
| C6 | C5 | N7 | C8 | 179.8° | 179.9° |
| C6 | C5 | C4 | N3 | 0.1° | 0.2° |
| C6 | C5 | C4 | N9 | 179.2° | 179.7° |
| C5 | C6 | N6 | H12 | 179.9° | 179.6° |
| C5 | C6 | N6 | H13 | 59.9° | 0.5° |
| N1 | C2 | N3 | H11 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.9° | 0.0° |
| N7 | C5 | C4 | N3 | 178.5° | 180.0° |
| N7 | C5 | C4 | N9 | 0.6° | 0.1° |
| C5 | N7 | C8 | N9 | 1.8° | 0.4° |
| C5 | N7 | C8 | H10 | 178.2° | 180.0° |
| C5 | C4 | N3 | C2 | 0.9° | 0.0° |
| C4 | C5 | N7 | C8 | 1.5° | 0.2° |
| C5 | C4 | N3 | N9 | 178.8° | 179.9° |
| C5 | C4 | N9 | C8 | 0.5° | 0.3° |
| C5 | C4 | N9 | C1' | 178.9° | 179.9° |
| C2 | N3 | C4 | N9 | 179.8° | 179.9° |
| N7 | C8 | N9 | C4 | 1.5° | 0.4° |
| N7 | C8 | N9 | H10 | 180.0° | 179.7° |
| N7 | C8 | N9 | C1' | 179.8° | 179.9° |
| N3 | C4 | N9 | C8 | 179.5° | 179.8° |
| N3 | C4 | N9 | C1' | 2.2° | 0.2° |
| C4 | N3 | C2 | H11 | 179.1° | 180.0° |
| C4 | N9 | C8 | C1' | 178.3° | 179.7° |
| C4 | N9 | C1' | C2' | 136.2° | 85.0° |
| C4 | N9 | C1' | O4' | 109.0° | 159.5° |
| C4 | N9 | C1' | H9 | 12.1° | 37.3° |
| C4 | N9 | C8 | H10 | 178.5° | 180.0° |
| C8 | N9 | C1' | C2' | 45.8° | 95.3° |
| C8 | N9 | C1' | O4' | 69.0° | 20.1° |
| C8 | N9 | C1' | H9 | 169.8° | 142.4° |
| N9 | C1' | C2' | O4' | 117.1° | 118.9° |
| N9 | C1' | C2' | H9 | 124.5° | 122.3° |
| N9 | C1' | O4' | H9 | 120.7° | 122.3° |
| N9 | C1' | C2' | O2' | 79.9° | 98.5° |
| N9 | C1' | C2' | C3' | 156.1° | 142.8° |
| N9 | C1' | O4' | C4' | 163.8° | 159.2° |
| N9 | C1' | C2' | H7 | 41.6° | 24.2° |
| C1' | N9 | C8 | H10 | 0.3° | 0.3° |
| C2' | C1' | O4' | H9 | 117.5° | 118.9° |
| C1' | C2' | O2' | C3' | 116.4° | 114.7° |
| C1' | C2' | O2' | H7 | 120.8° | 122.7° |
| C1' | C2' | C3' | H7 | 114.6° | 118.7° |
| C2' | C1' | O4' | C4' | 42.0° | 40.4° |
| C1' | C2' | C3' | C4' | 21.6° | 0.0° |
| C1' | C2' | C3' | O3' | 98.8° | 118.6° |
| C1' | C2' | C3' | H5 | 137.8° | 118.7° |
| C1' | C2' | O2' | H8 | 180.0° | 176.1° |
| O4' | C1' | C2' | O2' | 163.0° | 142.6° |
| O4' | C1' | C2' | C3' | 39.1° | 23.9° |
| C1' | O4' | C4' | C3' | 27.7° | 40.4° |
| C1' | O4' | C4' | C5' | 151.3° | 159.3° |
| C1' | O4' | C4' | H4 | 90.1° | 78.6° |
| O4' | C1' | C2' | H7 | 75.5° | 94.7° |
| O2' | C2' | C3' | H7 | 123.4° | 122.5° |
| O2' | C2' | C3' | C4' | 143.5° | 118.8° |
| O2' | C2' | C3' | O3' | 23.1° | 0.2° |
| O2' | C2' | C3' | H5 | 100.3° | 122.5° |
| O2' | C2' | C1' | H9 | 44.5° | 23.8° |
| C2' | C3' | C4' | O4' | 2.4° | 24.0° |
| C2' | C3' | C4' | O3' | 121.1° | 118.6° |
| C2' | C3' | C4' | H5 | 116.3° | 118.8° |
| C2' | C3' | O3' | H5 | 122.7° | 122.8° |
| C2' | C3' | C4' | C5' | 122.1° | 142.8° |
| C2' | C3' | C4' | H4 | 116.4° | 95.0° |
| C2' | C3' | O3' | H6 | 180.0° | 65.4° |
| C3' | C2' | O2' | H8 | 63.6° | 61.4° |
| C3' | C2' | C1' | H9 | 79.4° | 94.9° |
| O4' | C4' | C3' | C5' | 119.7° | 118.9° |
| O4' | C4' | C3' | H4 | 118.8° | 118.9° |
| O4' | C4' | C3' | O3' | 123.5° | 142.6° |
| O4' | C4' | C5' | H4 | 119.4° | 122.3° |
| O4' | C4' | C5' | O5' | 167.1° | 67.9° |
| O4' | C4' | C5' | H2 | 73.5° | 52.0° |
| O4' | C4' | C5' | H3 | 47.7° | 172.0° |
| O4' | C4' | C3' | H5 | 113.9° | 94.9° |
| C4' | O4' | C1' | H9 | 75.5° | 78.5° |
| C4' | C3' | O3' | H5 | 121.8° | 122.6° |
| C3' | C4' | C5' | H4 | 121.4° | 122.3° |
| C3' | C4' | C5' | O5' | 73.7° | 176.6° |
| C3' | C4' | C5' | H2 | 45.7° | 63.4° |
| C3' | C4' | C5' | H3 | 166.9° | 56.5° |
| C4' | C3' | O3' | H6 | 64.5° | 180.0° |
| C4' | C3' | C2' | H7 | 93.0° | 118.7° |
| O3' | C3' | C4' | C5' | 116.8° | 98.6° |
| O3' | C3' | C4' | H4 | 4.7° | 23.6° |
| O3' | C3' | C2' | H7 | 146.5° | 122.7° |
| C4' | C5' | O5' | H2 | 119.4° | 120.0° |
| C4' | C5' | O5' | H3 | 119.4° | 120.1° |
| C4' | C5' | O5' | P | 160.2° | 180.0° |
| C4' | C5' | H2 | H3 | 121.7° | 120.0° |
| C5' | C4' | C3' | H5 | 5.8° | 24.0° |
| C5' | O5' | P | O2P | 28.0° | 50.0° |
| C5' | O5' | P | N2 | 86.1° | 70.0° |
| C5' | O5' | P | O3P | 156.8° | 170.0° |
| O5' | C5' | H2 | H3 | 121.6° | 120.0° |
| O5' | C5' | C4' | H4 | 47.6° | 54.3° |
| O11 | C7 | O10 | C3 | 177.2° | 180.0° |
| O11 | C7 | C3 | N2 | 25.9° | 180.0° |
| O11 | C7 | C3 | C9 | 96.1° | 60.0° |
| O11 | C7 | C3 | H15 | 146.1° | 60.0° |
| C7 | O11 | C12 | H19 | 180.0° | 60.0° |
| C7 | O11 | C12 | H20 | 60.0° | 60.0° |
| C7 | O11 | C12 | H21 | 60.0° | 180.0° |
| C12 | O11 | C7 | O10 | 69.9° | 0.0° |
| C12 | O11 | C7 | C3 | 107.3° | 180.0° |
| O11 | C12 | H19 | H20 | 120.0° | 120.0° |
| O11 | C12 | H19 | H21 | 120.0° | 120.1° |
| O11 | C12 | H20 | H21 | 120.0° | 120.1° |
| O10 | C7 | C3 | N2 | 156.8° | 0.0° |
| O10 | C7 | C3 | C9 | 81.1° | 120.0° |
| O10 | C7 | C3 | H15 | 36.7° | 120.0° |
| O5' | P | O2P | N2 | 112.7° | 120.0° |
| O5' | P | O2P | O3P | 121.8° | 120.0° |
| O5' | P | N2 | O3P | 112.9° | 120.0° |
| O5' | P | N2 | C3 | 50.7° | 60.0° |
| O5' | P | O3P | H1 | 124.9° | 60.0° |
| P | O5' | C5' | H2 | 40.7° | 60.0° |
| P | O5' | C5' | H3 | 80.4° | 60.0° |
| O5' | P | N2 | H14 | 70.4° | 63.9° |
| C7 | C3 | N2 | P | 139.9° | 145.0° |
| C7 | C3 | N2 | C9 | 120.7° | 120.0° |
| C7 | C3 | N2 | H15 | 119.9° | 120.1° |
| C7 | C3 | C9 | H15 | 118.1° | 120.0° |
| C7 | C3 | N2 | H14 | 18.9° | 21.1° |
| C7 | C3 | C9 | H16 | 180.0° | 60.0° |
| C7 | C3 | C9 | H17 | 60.0° | 180.0° |
| C7 | C3 | C9 | H18 | 60.0° | 60.0° |
| O2P | P | N2 | O3P | 129.4° | 120.0° |
| O2P | P | N2 | C3 | 168.4° | 180.0° |
| O2P | P | O3P | H1 | 0.0° | 180.0° |
| O2P | P | N2 | H14 | 47.4° | 56.1° |
| P | N2 | C3 | H14 | 121.0° | 123.9° |
| P | N2 | C3 | C9 | 99.4° | 95.0° |
| N2 | P | O3P | H1 | 123.0° | 60.0° |
| P | N2 | C3 | H15 | 20.0° | 25.0° |
| C3 | N2 | P | O3P | 62.2° | 60.0° |
| N2 | C3 | C9 | H15 | 119.9° | 120.0° |
| N2 | C3 | C9 | H16 | 58.0° | 60.0° |
| N2 | C3 | C9 | H17 | 178.0° | 60.0° |
| N2 | C3 | C9 | H18 | 62.0° | 180.0° |
| O3P | P | N2 | H14 | 176.7° | 176.1° |
| C9 | C3 | N2 | H14 | 139.6° | 141.1° |
| C3 | C9 | H16 | H17 | 120.0° | 120.0° |
| C3 | C9 | H16 | H18 | 120.0° | 120.0° |
| C3 | C9 | H17 | H18 | 120.0° | 119.9° |
| H2 | C5' | C4' | H4 | 167.1° | 174.3° |
| H3 | C5' | C4' | H4 | 71.8° | 65.7° |
| H4 | C4' | C3' | H5 | 127.3° | 146.2° |
| H5 | C3' | O3' | H6 | 57.3° | 57.4° |
| H5 | C3' | C2' | H7 | 23.1° | 0.1° |
| H7 | C2' | O2' | H8 | 59.2° | 61.1° |
| H7 | C2' | C1' | H9 | 166.0° | 146.5° |
| H14 | N2 | C3 | H15 | 101.0° | 98.9° |
| H15 | C3 | C9 | H16 | 61.9° | 180.0° |
| H15 | C3 | C9 | H17 | 58.1° | 60.0° |
| H15 | C3 | C9 | H18 | 178.1° | 60.0° |
| H16 | C9 | H17 | H18 | 120.0° | 120.1° |
| H19 | C12 | H20 | H21 | 120.0° | 119.9° |
