A1H3G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C6 | sing | 1.38Å | 1.34Å | |
| N1 | C6 | doub | 1.33Å | 1.39Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.42Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.38Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.40Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.37Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.38Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.48Å | |
| C1' | C2' | sing | 1.54Å | 1.52Å | |
| C1' | O4' | sing | 1.44Å | 1.41Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| O4' | C4' | sing | 1.44Å | 1.42Å | |
| O3' | C3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.55Å | 1.54Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| O5' | P | sing | 1.61Å | 1.61Å | |
| OP1 | P | doub | 1.48Å | 1.48Å | |
| P | OP3 | sing | 1.61Å | 1.48Å | |
| P | OP2 | sing | 1.61Å | 1.62Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N6 | H62 | sing | 0.97Å | 1.00Å | |
| N6 | H61 | sing | 0.97Å | 1.00Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C6 | N1 | 117.3° | 120.7° |
| N6 | C6 | C5 | 126.2° | 120.8° |
| C6 | N6 | H62 | 120.0° | 120.0° |
| C6 | N6 | H61 | 120.0° | 120.0° |
| C6 | N1 | C2 | 119.5° | 121.2° |
| N1 | C6 | C5 | 116.5° | 118.4° |
| C6 | N1 | H1 | 120.2° | 119.4° |
| N1 | C2 | N3 | 127.3° | 122.5° |
| C2 | N1 | H1 | 120.3° | 119.4° |
| N1 | C2 | H2 | 116.3° | 118.8° |
| C6 | C5 | C4 | 117.5° | 118.2° |
| C6 | C5 | N7 | 132.2° | 134.7° |
| C2 | N3 | C4 | 111.6° | 120.7° |
| N3 | C2 | H2 | 116.4° | 118.7° |
| C4 | C5 | N7 | 110.3° | 107.1° |
| C5 | C4 | N3 | 127.6° | 119.0° |
| C5 | C4 | N9 | 106.1° | 106.0° |
| C5 | N7 | C8 | 104.0° | 109.4° |
| N3 | C4 | N9 | 126.4° | 134.9° |
| C4 | N9 | C8 | 105.6° | 107.5° |
| C4 | N9 | C1' | 126.9° | 126.3° |
| N7 | C8 | N9 | 114.0° | 109.9° |
| N7 | C8 | H8 | 123.0° | 125.0° |
| C8 | N9 | C1' | 127.5° | 126.2° |
| N9 | C8 | H8 | 123.0° | 125.1° |
| N9 | C1' | C2' | 112.8° | 109.9° |
| N9 | C1' | O4' | 110.4° | 109.9° |
| N9 | C1' | H1' | 109.6° | 109.9° |
| C2' | C1' | O4' | 104.2° | 107.3° |
| C1' | C2' | C3' | 100.4° | 104.2° |
| C2' | C1' | H1' | 109.1° | 109.9° |
| C1' | C2' | H2' | 111.7° | 110.5° |
| C1' | C2' | H2'' | 111.7° | 110.5° |
| C1' | O4' | C4' | 107.7° | 107.0° |
| O4' | C1' | H1' | 110.6° | 110.0° |
| C2' | C3' | O3' | 109.3° | 110.9° |
| C2' | C3' | C4' | 101.9° | 102.1° |
| C2' | C3' | H3' | 110.7° | 110.9° |
| C3' | C2' | H2' | 111.7° | 110.5° |
| C3' | C2' | H2'' | 111.7° | 110.5° |
| O4' | C4' | C3' | 107.7° | 103.5° |
| O4' | C4' | C5' | 111.3° | 110.6° |
| O4' | C4' | H4' | 109.1° | 110.6° |
| O3' | C3' | C4' | 111.9° | 110.9° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| O3' | C3' | H3' | 112.1° | 110.8° |
| C3' | C4' | C5' | 113.3° | 110.6° |
| C3' | C4' | H4' | 107.6° | 110.7° |
| C4' | C3' | H3' | 110.5° | 110.9° |
| C4' | C5' | O5' | 112.6° | 109.5° |
| C5' | C4' | H4' | 107.7° | 110.6° |
| C4' | C5' | H5'' | 108.7° | 109.5° |
| C4' | C5' | H5' | 108.7° | 109.5° |
| C5' | O5' | P | 120.7° | 123.0° |
| O5' | C5' | H5'' | 108.7° | 109.5° |
| O5' | C5' | H5' | 108.7° | 109.4° |
| O5' | P | OP1 | 108.3° | 109.5° |
| O5' | P | OP3 | 108.0° | 109.5° |
| O5' | P | OP2 | 104.7° | 109.5° |
| OP1 | P | OP3 | 118.6° | 109.5° |
| OP1 | P | OP2 | 109.1° | 109.5° |
| OP3 | P | OP2 | 107.4° | 109.4° |
| P | OP3 | HOP3 | 109.5° | 114.0° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| H62 | N6 | H61 | 120.0° | 120.0° |
| H2' | C2' | H2'' | 109.5° | 110.5° |
| H5'' | C5' | H5' | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C6 | N1 | C5 | 178.7° | 179.9° |
| N6 | C6 | N1 | C2 | 175.3° | 180.0° |
| N6 | C6 | C5 | C4 | 174.5° | 180.0° |
| N6 | C6 | C5 | N7 | 4.3° | 0.1° |
| N6 | C6 | N1 | H1 | 4.7° | 0.3° |
| C6 | N6 | H62 | H61 | 180.0° | 179.9° |
| C6 | N1 | C2 | H1 | 180.0° | 179.7° |
| C6 | N1 | C2 | N3 | 0.4° | 0.0° |
| N1 | C6 | C5 | C4 | 4.0° | 0.0° |
| N1 | C6 | C5 | N7 | 177.2° | 180.0° |
| C6 | N1 | C2 | H2 | 179.5° | 180.0° |
| N1 | C6 | N6 | H62 | 178.5° | 0.0° |
| N1 | C6 | N6 | H61 | 1.5° | 180.0° |
| C2 | N1 | C6 | C5 | 3.4° | 0.0° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 1.7° | 0.0° |
| C6 | C5 | C4 | N7 | 179.0° | 180.0° |
| C6 | C5 | C4 | N3 | 2.1° | 0.0° |
| C6 | C5 | C4 | N9 | 177.3° | 180.0° |
| C6 | C5 | N7 | C8 | 178.1° | 180.0° |
| C5 | C6 | N1 | H1 | 176.6° | 179.8° |
| C5 | C6 | N6 | H62 | 0.0° | 180.0° |
| C5 | C6 | N6 | H61 | 180.0° | 0.1° |
| C2 | N3 | C4 | C5 | 0.8° | 0.0° |
| C2 | N3 | C4 | N9 | 179.9° | 180.0° |
| N3 | C2 | N1 | H1 | 179.5° | 179.8° |
| C5 | C4 | N3 | N9 | 179.3° | 179.9° |
| C4 | C5 | N7 | C8 | 0.7° | 0.0° |
| C5 | C4 | N9 | C8 | 1.9° | 0.0° |
| C5 | C4 | N9 | C1' | 177.9° | 180.0° |
| N7 | C5 | C4 | N3 | 178.9° | 179.9° |
| N7 | C5 | C4 | N9 | 1.7° | 0.0° |
| C5 | N7 | C8 | N9 | 0.6° | 0.0° |
| C5 | N7 | C8 | H8 | 179.4° | 180.0° |
| N3 | C4 | N9 | C8 | 178.7° | 179.9° |
| N3 | C4 | N9 | C1' | 1.5° | 0.0° |
| C4 | N3 | C2 | H2 | 178.3° | 179.9° |
| C4 | N9 | C8 | N7 | 1.6° | 0.0° |
| C4 | N9 | C8 | C1' | 179.8° | 180.0° |
| C4 | N9 | C1' | C2' | 71.1° | 85.0° |
| C4 | N9 | C1' | O4' | 172.8° | 157.2° |
| C4 | N9 | C8 | H8 | 178.4° | 180.0° |
| C4 | N9 | C1' | H1' | 50.7° | 36.0° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 178.2° | 180.0° |
| C8 | N9 | C1' | C2' | 108.6° | 95.0° |
| C8 | N9 | C1' | O4' | 7.4° | 22.8° |
| C8 | N9 | C1' | H1' | 129.5° | 144.0° |
| N9 | C1' | C2' | O4' | 119.7° | 119.4° |
| N9 | C1' | C2' | H1' | 122.1° | 121.0° |
| N9 | C1' | O4' | H1' | 121.5° | 121.1° |
| N9 | C1' | C2' | C3' | 162.7° | 121.5° |
| N9 | C1' | O4' | C4' | 156.2° | 145.9° |
| C1' | N9 | C8 | H8 | 1.8° | 0.0° |
| N9 | C1' | C2' | H2' | 78.8° | 119.9° |
| N9 | C1' | C2' | H2'' | 44.2° | 2.8° |
| C2' | C1' | O4' | H1' | 117.1° | 119.5° |
| C1' | C2' | C3' | H2' | 118.5° | 118.7° |
| C1' | C2' | C3' | H2'' | 118.5° | 118.7° |
| C2' | C1' | O4' | C4' | 34.8° | 26.5° |
| C1' | C2' | C3' | O3' | 84.6° | 139.1° |
| C1' | C2' | C3' | C4' | 33.9° | 20.8° |
| C1' | C2' | C3' | H3' | 151.4° | 97.3° |
| C1' | C2' | H2' | H2'' | 124.2° | 122.6° |
| O4' | C1' | C2' | C3' | 42.9° | 2.0° |
| C1' | O4' | C4' | C3' | 12.2° | 40.0° |
| C1' | O4' | C4' | C5' | 137.0° | 158.6° |
| C1' | O4' | C4' | H4' | 104.3° | 78.6° |
| O4' | C1' | C2' | H2' | 161.5° | 120.7° |
| O4' | C1' | C2' | H2'' | 75.5° | 116.7° |
| C2' | C3' | C4' | O4' | 15.0° | 37.0° |
| C2' | C3' | O3' | C4' | 112.1° | 112.7° |
| C2' | C3' | O3' | H3' | 123.1° | 123.6° |
| C2' | C3' | C4' | H3' | 117.6° | 118.2° |
| C2' | C3' | C4' | C5' | 108.5° | 155.5° |
| C2' | C3' | O3' | HO3' | 180.0° | 67.4° |
| C3' | C2' | C1' | H1' | 75.2° | 117.5° |
| C2' | C3' | C4' | H4' | 132.5° | 81.6° |
| C3' | C2' | H2' | H2'' | 124.2° | 122.6° |
| O4' | C4' | C3' | O3' | 101.7° | 155.2° |
| O4' | C4' | C3' | C5' | 123.5° | 118.5° |
| O4' | C4' | C3' | H4' | 117.5° | 118.5° |
| O4' | C4' | C5' | H4' | 119.6° | 122.9° |
| O4' | C4' | C5' | O5' | 58.8° | 66.4° |
| C4' | O4' | C1' | H1' | 82.3° | 93.0° |
| O4' | C4' | C3' | H3' | 132.6° | 81.2° |
| O4' | C4' | C5' | H5'' | 61.7° | 53.6° |
| O4' | C4' | C5' | H5' | 179.3° | 173.6° |
| O3' | C3' | C4' | H3' | 125.7° | 123.6° |
| O3' | C3' | C4' | C5' | 134.8° | 86.3° |
| O3' | C3' | C4' | H4' | 15.9° | 36.6° |
| O3' | C3' | C2' | H2' | 33.9° | 20.4° |
| O3' | C3' | C2' | H2'' | 156.9° | 102.2° |
| C3' | C4' | C5' | H4' | 118.9° | 123.0° |
| C3' | C4' | C5' | O5' | 62.7° | 179.4° |
| C4' | C3' | O3' | HO3' | 67.9° | 179.9° |
| C4' | C3' | C2' | H2' | 152.4° | 97.8° |
| C4' | C3' | C2' | H2'' | 84.6° | 139.5° |
| C3' | C4' | C5' | H5'' | 176.8° | 60.5° |
| C3' | C4' | C5' | H5' | 57.7° | 59.4° |
| C4' | C5' | O5' | H5'' | 120.5° | 120.0° |
| C4' | C5' | O5' | H5' | 120.5° | 120.0° |
| C4' | C5' | O5' | P | 167.8° | 180.0° |
| C5' | C4' | C3' | H3' | 9.1° | 37.3° |
| C4' | C5' | H5'' | H5' | 118.6° | 120.0° |
| C5' | O5' | P | OP1 | 171.9° | 55.0° |
| C5' | O5' | P | OP3 | 58.5° | 175.0° |
| C5' | O5' | P | OP2 | 55.7° | 65.0° |
| O5' | C5' | C4' | H4' | 178.4° | 56.4° |
| O5' | C5' | H5'' | H5' | 118.5° | 119.9° |
| O5' | P | OP1 | OP3 | 123.4° | 120.1° |
| O5' | P | OP1 | OP2 | 113.3° | 120.0° |
| O5' | P | OP3 | OP2 | 112.4° | 120.0° |
| O5' | P | OP3 | HOP3 | 123.5° | 180.0° |
| P | O5' | C5' | H5'' | 71.7° | 60.0° |
| P | O5' | C5' | H5' | 47.3° | 60.0° |
| O5' | P | OP2 | HOP2 | 115.7° | 60.0° |
| OP1 | P | OP3 | OP2 | 124.1° | 120.0° |
| OP1 | P | OP3 | HOP3 | 0.0° | 60.0° |
| OP1 | P | OP2 | HOP2 | 0.0° | 180.0° |
| OP3 | P | OP2 | HOP2 | 129.7° | 60.1° |
| OP2 | P | OP3 | HOP3 | 124.1° | 60.0° |
| H1 | N1 | C2 | H2 | 0.5° | 0.3° |
| HO3' | O3' | C3' | H3' | 56.9° | 56.3° |
| H1' | C1' | C2' | H2' | 43.3° | 1.1° |
| H1' | C1' | C2' | H2'' | 166.3° | 123.8° |
| H4' | C4' | C3' | H3' | 109.8° | 160.3° |
| H4' | C4' | C5' | H5'' | 57.9° | 176.4° |
| H4' | C4' | C5' | H5' | 61.2° | 63.6° |
| H3' | C3' | C2' | H2' | 90.1° | 144.0° |
| H3' | C3' | C2' | H2'' | 32.9° | 21.4° |
