54H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | doub | 1.41Å | 1.38Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.35Å | Aromatic |
| C6 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.35Å | |
| C8 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.35Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.32Å | Aromatic |
| CG2 | CB | sing | 1.53Å | 1.52Å | |
| CB | CG1 | sing | 1.53Å | 1.54Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| CA | C | sing | 1.51Å | 1.56Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | NAP | sing | 1.35Å | 1.35Å | |
| NAP | SBD | sing | 1.66Å | 1.61Å | |
| SBD | OAF | doub | 1.42Å | 1.49Å | |
| SBD | OAG | doub | 1.42Å | 1.53Å | |
| SBD | O5' | sing | 1.52Å | 1.47Å | |
| O5' | C5' | sing | 1.43Å | 1.45Å | |
| C5' | C4' | sing | 1.53Å | 1.57Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C3' | sing | 1.54Å | 1.54Å | |
| O4' | C1' | sing | 1.44Å | 1.40Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C3' | C2' | sing | 1.55Å | 1.54Å | |
| C2' | O2' | sing | 1.43Å | 1.41Å | |
| C2' | C1' | sing | 1.55Å | 1.53Å | |
| C1' | N9 | sing | 1.47Å | 1.48Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| CG2 | HG2 | sing | 1.09Å | 1.10Å | |
| CG2 | HG2A | sing | 1.09Å | 1.10Å | |
| CG2 | HG2B | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CG1 | HG1 | sing | 1.09Å | 1.10Å | |
| CG1 | HG1A | sing | 1.09Å | 1.10Å | |
| CG1 | HG1B | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| NAP | HNAP | sing | 0.97Å | 1.00Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | N3 | 120.5° | 119.0° |
| C5 | C4 | N9 | 107.6° | 106.0° |
| C4 | C5 | C6 | 117.5° | 118.2° |
| C4 | C5 | N7 | 107.7° | 107.1° |
| N3 | C4 | N9 | 131.9° | 135.0° |
| C4 | N3 | C2 | 121.0° | 120.7° |
| C4 | N9 | C8 | 108.1° | 107.5° |
| C4 | N9 | C1' | 123.0° | 126.3° |
| C6 | C5 | N7 | 134.8° | 134.7° |
| C5 | C6 | N1 | 119.0° | 118.4° |
| C5 | C6 | N6 | 121.7° | 120.8° |
| C5 | N7 | C8 | 107.3° | 109.5° |
| N1 | C6 | N6 | 119.3° | 120.8° |
| C6 | N1 | C2 | 122.1° | 121.2° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.5° | 119.9° |
| N9 | C8 | N7 | 109.3° | 109.9° |
| C8 | N9 | C1' | 128.9° | 126.2° |
| N9 | C8 | H8 | 125.3° | 125.0° |
| N7 | C8 | H8 | 125.3° | 125.0° |
| N1 | C2 | N3 | 119.9° | 122.5° |
| N1 | C2 | H2 | 120.0° | 118.7° |
| N3 | C2 | H2 | 120.1° | 118.8° |
| CG2 | CB | CG1 | 111.2° | 109.5° |
| CG2 | CB | CA | 112.9° | 109.5° |
| CB | CG2 | HG2 | 109.5° | 109.5° |
| CB | CG2 | HG2A | 109.4° | 109.5° |
| CB | CG2 | HG2B | 109.4° | 109.4° |
| CG2 | CB | HB | 106.2° | 109.4° |
| CG1 | CB | CA | 110.3° | 109.5° |
| CG1 | CB | HB | 108.9° | 109.5° |
| CB | CG1 | HG1 | 109.5° | 109.4° |
| CB | CG1 | HG1A | 109.5° | 109.5° |
| CB | CG1 | HG1B | 109.5° | 109.4° |
| CB | CA | N | 111.0° | 109.5° |
| CB | CA | C | 115.4° | 109.5° |
| CA | CB | HB | 107.1° | 109.4° |
| CB | CA | HA | 103.9° | 109.5° |
| N | CA | C | 109.0° | 109.4° |
| N | CA | HA | 111.1° | 109.4° |
| CA | N | HN | 109.5° | 111.0° |
| CA | N | HNA | 109.4° | 111.0° |
| CA | C | O | 121.1° | 120.0° |
| CA | C | NAP | 114.9° | 120.0° |
| C | CA | HA | 106.2° | 109.5° |
| O | C | NAP | 123.9° | 120.0° |
| C | NAP | SBD | 118.5° | 120.0° |
| C | NAP | HNAP | 120.7° | 120.0° |
| NAP | SBD | OAF | 107.6° | 106.4° |
| NAP | SBD | OAG | 112.0° | 106.4° |
| NAP | SBD | O5' | 110.3° | 107.2° |
| SBD | NAP | HNAP | 120.8° | 120.0° |
| OAF | SBD | OAG | 108.1° | 123.1° |
| OAF | SBD | O5' | 109.1° | 106.4° |
| OAG | SBD | O5' | 109.6° | 106.4° |
| SBD | O5' | C5' | 118.1° | 113.9° |
| O5' | C5' | C4' | 111.2° | 109.5° |
| O5' | C5' | H5' | 108.9° | 109.5° |
| O5' | C5' | H5'A | 108.5° | 109.5° |
| C5' | C4' | O4' | 100.5° | 109.9° |
| C5' | C4' | C3' | 115.3° | 109.9° |
| C4' | C5' | H5' | 108.9° | 109.5° |
| C4' | C5' | H5'A | 108.5° | 109.4° |
| C5' | C4' | H4' | 111.0° | 109.8° |
| O4' | C4' | C3' | 107.2° | 107.3° |
| C4' | O4' | C1' | 108.6° | 107.0° |
| O4' | C4' | H4' | 118.6° | 109.9° |
| C4' | C3' | O3' | 109.7° | 110.5° |
| C4' | C3' | C2' | 100.6° | 104.2° |
| C3' | C4' | H4' | 104.7° | 110.1° |
| C4' | C3' | H3' | 115.7° | 110.5° |
| O4' | C1' | C2' | 101.6° | 103.5° |
| O4' | C1' | N9 | 112.0° | 110.7° |
| O4' | C1' | H1' | 112.8° | 110.7° |
| O3' | C3' | C2' | 111.6° | 110.5° |
| O3' | C3' | H3' | 105.4° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C2' | O2' | 111.3° | 110.9° |
| C3' | C2' | C1' | 102.2° | 102.1° |
| C2' | C3' | H3' | 113.9° | 110.6° |
| C3' | C2' | H2' | 113.8° | 111.0° |
| O2' | C2' | C1' | 111.9° | 110.9° |
| O2' | C2' | H2' | 104.5° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C2' | C1' | N9 | 109.1° | 110.6° |
| C1' | C2' | H2' | 113.4° | 110.9° |
| C2' | C1' | H1' | 115.5° | 110.6° |
| N9 | C1' | H1' | 105.9° | 110.6° |
| HG2 | CG2 | HG2A | 109.4° | 109.5° |
| HG2 | CG2 | HG2B | 109.5° | 109.5° |
| HG2A | CG2 | HG2B | 109.5° | 109.5° |
| HG1 | CG1 | HG1A | 109.5° | 109.5° |
| HG1 | CG1 | HG1B | 109.4° | 109.5° |
| HG1A | CG1 | HG1B | 109.5° | 109.5° |
| HN | N | HNA | 109.4° | 111.0° |
| H5' | C5' | H5'A | 110.9° | 109.5° |
| HN6 | N6 | HN6A | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | N3 | N9 | 178.8° | 179.8° |
| C4 | C5 | C6 | N7 | 179.7° | 180.0° |
| C4 | C5 | C6 | N1 | 0.1° | 0.0° |
| C4 | C5 | C6 | N6 | 180.0° | 180.0° |
| C5 | C4 | N9 | C8 | 0.2° | 0.0° |
| C4 | C5 | N7 | C8 | 1.1° | 0.4° |
| C5 | C4 | N3 | C2 | 0.5° | 0.1° |
| C5 | C4 | N9 | C1' | 178.5° | 179.9° |
| N3 | C4 | C5 | C6 | 0.2° | 0.0° |
| N3 | C4 | C5 | N7 | 179.6° | 180.0° |
| N3 | C4 | N9 | C8 | 178.7° | 179.7° |
| C4 | N3 | C2 | N1 | 1.4° | 0.1° |
| N3 | C4 | N9 | C1' | 0.4° | 0.2° |
| C4 | N3 | C2 | H2 | 178.7° | 179.9° |
| N9 | C4 | C5 | C6 | 179.2° | 179.8° |
| N9 | C4 | C5 | N7 | 0.6° | 0.2° |
| C4 | N9 | C8 | C1' | 178.2° | 179.9° |
| C4 | N9 | C8 | N7 | 0.9° | 0.3° |
| N9 | C4 | N3 | C2 | 178.3° | 179.7° |
| C4 | N9 | C1' | O4' | 127.7° | 156.4° |
| C4 | N9 | C1' | C2' | 120.5° | 89.5° |
| C4 | N9 | C8 | H8 | 179.1° | 179.9° |
| C4 | N9 | C1' | H1' | 4.4° | 33.4° |
| C5 | C6 | N1 | N6 | 179.8° | 180.0° |
| C6 | C5 | N7 | C8 | 178.6° | 179.6° |
| C5 | C6 | N1 | C2 | 1.0° | 0.0° |
| C5 | C6 | N6 | HN6 | 18.9° | 0.0° |
| C5 | C6 | N6 | HN6A | 101.1° | 180.0° |
| N7 | C5 | C6 | N1 | 179.8° | 180.0° |
| N7 | C5 | C6 | N6 | 0.3° | 0.0° |
| C5 | N7 | C8 | N9 | 1.2° | 0.4° |
| C5 | N7 | C8 | H8 | 178.8° | 179.8° |
| C6 | N1 | C2 | N3 | 1.7° | 0.1° |
| C6 | N1 | C2 | H2 | 178.4° | 179.9° |
| N1 | C6 | N6 | HN6 | 161.0° | 180.0° |
| N1 | C6 | N6 | HN6A | 79.0° | 0.1° |
| N6 | C6 | N1 | C2 | 179.1° | 180.0° |
| C6 | N6 | HN6 | HN6A | 120.0° | 179.9° |
| N9 | C8 | N7 | H8 | 180.0° | 179.8° |
| C8 | N9 | C1' | O4' | 54.4° | 23.5° |
| C8 | N9 | C1' | C2' | 57.4° | 90.6° |
| C8 | N9 | C1' | H1' | 177.7° | 146.5° |
| N7 | C8 | N9 | C1' | 179.1° | 179.8° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| CG2 | CB | CG1 | CA | 126.0° | 120.0° |
| CG2 | CB | CG1 | HB | 116.7° | 120.0° |
| CG2 | CB | CA | HB | 116.5° | 119.9° |
| CG2 | CB | CA | N | 91.1° | 60.0° |
| CG2 | CB | CA | C | 33.6° | 180.0° |
| CB | CG2 | HG2 | HG2A | 120.0° | 120.0° |
| CB | CG2 | HG2 | HG2B | 120.0° | 119.9° |
| CB | CG2 | HG2A | HG2B | 120.0° | 119.9° |
| CG2 | CB | CG1 | HG1 | 42.1° | 60.0° |
| CG2 | CB | CG1 | HG1A | 77.9° | 60.0° |
| CG2 | CB | CG1 | HG1B | 162.1° | 180.0° |
| CG2 | CB | CA | HA | 149.4° | 60.0° |
| CG1 | CB | CA | HB | 118.4° | 120.0° |
| CG1 | CB | CA | N | 143.8° | 180.0° |
| CG1 | CB | CA | C | 91.6° | 60.0° |
| CG1 | CB | CG2 | HG2 | 106.4° | 60.0° |
| CG1 | CB | CG2 | HG2A | 133.6° | 180.0° |
| CG1 | CB | CG2 | HG2B | 13.6° | 60.0° |
| CB | CG1 | HG1 | HG1A | 120.0° | 120.0° |
| CB | CG1 | HG1 | HG1B | 120.0° | 119.9° |
| CB | CG1 | HG1A | HG1B | 120.0° | 120.0° |
| CG1 | CB | CA | HA | 24.3° | 60.0° |
| CB | CA | N | C | 128.2° | 120.0° |
| CB | CA | N | HA | 115.1° | 120.0° |
| CB | CA | C | HA | 114.6° | 120.0° |
| CB | CA | C | O | 93.6° | 100.0° |
| CB | CA | C | NAP | 89.1° | 80.0° |
| CA | CB | CG2 | HG2 | 18.2° | 180.0° |
| CA | CB | CG2 | HG2A | 101.8° | 60.0° |
| CA | CB | CG2 | HG2B | 138.2° | 60.0° |
| CA | CB | CG1 | HG1 | 83.9° | 180.0° |
| CA | CB | CG1 | HG1A | 156.1° | 60.0° |
| CA | CB | CG1 | HG1B | 36.1° | 60.0° |
| CB | CA | N | HN | 60.3° | 64.0° |
| CB | CA | N | HNA | 59.6° | 60.0° |
| N | CA | C | HA | 119.7° | 119.9° |
| N | CA | C | O | 32.0° | 20.0° |
| N | CA | C | NAP | 145.2° | 160.0° |
| N | CA | CB | HB | 25.4° | 60.0° |
| CA | N | HN | HNA | 120.0° | 124.0° |
| CA | C | O | NAP | 177.0° | 180.0° |
| CA | C | NAP | SBD | 176.9° | 180.0° |
| C | CA | CB | HB | 150.0° | 60.0° |
| C | CA | N | HN | 171.5° | 176.0° |
| C | CA | N | HNA | 68.6° | 60.0° |
| CA | C | NAP | HNAP | 3.1° | 0.0° |
| O | C | NAP | SBD | 0.3° | 0.0° |
| O | C | CA | HA | 151.8° | 139.9° |
| O | C | NAP | HNAP | 179.7° | 180.0° |
| C | NAP | SBD | HNAP | 180.0° | 180.0° |
| C | NAP | SBD | OAF | 72.8° | 178.6° |
| C | NAP | SBD | OAG | 168.5° | 48.6° |
| C | NAP | SBD | O5' | 46.2° | 65.0° |
| NAP | C | CA | HA | 25.5° | 40.1° |
| NAP | SBD | OAF | OAG | 121.2° | 122.9° |
| NAP | SBD | OAF | O5' | 119.7° | 114.1° |
| NAP | SBD | OAG | O5' | 122.8° | 114.1° |
| NAP | SBD | O5' | C5' | 79.5° | 75.0° |
| OAF | SBD | OAG | O5' | 118.8° | 123.0° |
| OAF | SBD | O5' | C5' | 162.4° | 38.6° |
| OAF | SBD | NAP | HNAP | 107.2° | 1.4° |
| OAG | SBD | O5' | C5' | 44.3° | 171.5° |
| OAG | SBD | NAP | HNAP | 11.5° | 131.4° |
| SBD | O5' | C5' | C4' | 167.4° | 180.0° |
| O5' | SBD | NAP | HNAP | 133.9° | 115.0° |
| SBD | O5' | C5' | H5' | 47.4° | 60.0° |
| SBD | O5' | C5' | H5'A | 73.4° | 60.0° |
| O5' | C5' | C4' | H5' | 120.0° | 120.0° |
| O5' | C5' | C4' | H5'A | 119.2° | 120.0° |
| O5' | C5' | C4' | O4' | 80.6° | 66.5° |
| O5' | C5' | C4' | C3' | 34.1° | 175.7° |
| O5' | C5' | H5' | H5'A | 119.3° | 120.1° |
| O5' | C5' | C4' | H4' | 153.0° | 54.5° |
| C5' | C4' | O4' | C3' | 120.8° | 119.4° |
| C5' | C4' | O4' | H4' | 121.1° | 121.0° |
| C5' | C4' | C3' | H4' | 122.3° | 121.1° |
| C5' | C4' | O4' | C1' | 136.4° | 145.9° |
| C5' | C4' | C3' | O3' | 144.4° | 119.9° |
| C5' | C4' | C3' | C2' | 97.9° | 121.4° |
| C4' | C5' | H5' | H5'A | 119.3° | 120.0° |
| C5' | C4' | C3' | H3' | 25.3° | 2.6° |
| O4' | C4' | C3' | H4' | 126.9° | 119.5° |
| O4' | C4' | C3' | O3' | 104.7° | 120.7° |
| O4' | C4' | C3' | C2' | 13.0° | 2.0° |
| C4' | O4' | C1' | C2' | 37.4° | 40.1° |
| C4' | O4' | C1' | N9 | 153.8° | 158.6° |
| O4' | C4' | C5' | H5' | 159.4° | 53.6° |
| O4' | C4' | C5' | H5'A | 38.6° | 173.5° |
| O4' | C4' | C3' | H3' | 136.2° | 116.8° |
| C4' | O4' | C1' | H1' | 86.9° | 78.4° |
| C3' | C4' | O4' | C1' | 15.6° | 26.5° |
| C4' | C3' | O3' | C2' | 110.6° | 114.8° |
| C4' | C3' | O3' | H3' | 125.3° | 122.5° |
| C4' | C3' | C2' | H3' | 124.5° | 118.7° |
| C4' | C3' | C2' | O2' | 153.7° | 139.1° |
| C4' | C3' | C2' | C1' | 34.2° | 20.9° |
| C3' | C4' | C5' | H5' | 85.9° | 64.2° |
| C3' | C4' | C5' | H5'A | 153.4° | 55.7° |
| C4' | C3' | O3' | HO3' | 102.7° | 180.0° |
| C4' | C3' | C2' | H2' | 88.4° | 97.4° |
| O4' | C1' | C2' | C3' | 44.8° | 37.0° |
| O4' | C1' | C2' | O2' | 164.0° | 155.2° |
| O4' | C1' | C2' | N9 | 118.5° | 118.5° |
| O4' | C1' | C2' | H1' | 122.5° | 118.5° |
| O4' | C1' | N9 | H1' | 123.3° | 123.0° |
| C1' | O4' | C4' | H4' | 102.5° | 93.1° |
| O4' | C1' | C2' | H2' | 78.1° | 81.2° |
| O3' | C3' | C2' | H3' | 119.2° | 122.6° |
| O3' | C3' | C2' | O2' | 37.4° | 20.4° |
| O3' | C3' | C2' | C1' | 82.1° | 97.8° |
| O3' | C3' | C4' | H4' | 22.1° | 1.2° |
| O3' | C3' | C2' | H2' | 155.3° | 144.0° |
| C3' | C2' | O2' | C1' | 113.6° | 112.7° |
| C3' | C2' | O2' | H2' | 123.3° | 123.7° |
| C3' | C2' | C1' | H2' | 122.9° | 118.3° |
| C3' | C2' | C1' | N9 | 163.3° | 155.6° |
| C2' | C3' | C4' | H4' | 139.9° | 117.5° |
| C2' | C3' | O3' | HO3' | 7.9° | 65.2° |
| C3' | C2' | O2' | HO2' | 176.3° | 61.5° |
| C3' | C2' | C1' | H1' | 77.6° | 81.5° |
| O2' | C2' | C1' | H2' | 117.8° | 123.5° |
| O2' | C2' | C1' | N9 | 77.5° | 86.2° |
| O2' | C2' | C3' | H3' | 81.8° | 102.2° |
| O2' | C2' | C1' | H1' | 41.6° | 36.7° |
| C2' | C1' | N9 | H1' | 124.9° | 122.9° |
| C1' | C2' | C3' | H3' | 158.6° | 139.6° |
| C1' | C2' | O2' | HO2' | 70.0° | 174.2° |
| C1' | N9 | C8 | H8 | 1.0° | 0.1° |
| N9 | C1' | C2' | H2' | 40.3° | 37.3° |
| HG2 | CG2 | HG2A | HG2B | 120.0° | 120.1° |
| HG2 | CG2 | CB | HB | 135.2° | 60.0° |
| HG2A | CG2 | CB | HB | 15.2° | 60.0° |
| HG2B | CG2 | CB | HB | 104.8° | 179.9° |
| HB | CB | CG1 | HG1 | 158.8° | 60.0° |
| HB | CB | CG1 | HG1A | 38.8° | 180.0° |
| HB | CB | CG1 | HG1B | 81.3° | 60.0° |
| HB | CB | CA | HA | 94.1° | 179.9° |
| HG1 | CG1 | HG1A | HG1B | 120.0° | 120.1° |
| HA | CA | N | HN | 54.8° | 56.0° |
| HA | CA | N | HNA | 174.8° | 180.0° |
| H5' | C5' | C4' | H4' | 33.0° | 174.6° |
| H5'A | C5' | C4' | H4' | 87.8° | 65.5° |
| H4' | C4' | C3' | H3' | 97.0° | 123.7° |
| H3' | C3' | O3' | HO3' | 132.0° | 57.5° |
| H3' | C3' | C2' | H2' | 36.0° | 21.4° |
| H2' | C2' | O2' | HO2' | 53.0° | 62.2° |
| H2' | C2' | C1' | H1' | 159.4° | 160.2° |
