1AP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.33Å | 1.38Å | Aromatic |
| N1 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
| C2 | N2 | sing | 1.38Å | 1.34Å | |
| C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.36Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.40Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.39Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| C8 | N9 | sing | 1.36Å | 1.38Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| C8 | H81 | sing | 1.08Å | 1.10Å | |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| N2 | HN22 | sing | 0.97Å | 1.02Å | |
| N9 | C1' | sing | 1.46Å | 1.46Å | |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å | |
| P | OP1 | sing | 1.61Å | 1.48Å | |
| P | OP2 | doub | 1.48Å | 1.49Å | |
| P | O5' | sing | 1.61Å | 1.60Å | |
| P | OP3 | sing | 1.61Å | 1.62Å | |
| OP1 | H1P | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | H52 | sing | 1.09Å | 1.11Å | |
| C5' | H51 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.45Å | 1.45Å | |
| C4' | C3' | sing | 1.55Å | 1.53Å | |
| C4' | H4 | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C1' | C2' | sing | 1.54Å | 1.52Å | |
| C1' | H11 | sing | 1.09Å | 1.11Å | |
| C2' | C3' | sing | 1.55Å | 1.51Å | |
| C2' | H21 | sing | 1.09Å | 1.11Å | |
| C2' | H22 | sing | 1.09Å | 1.12Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | H31 | sing | 1.09Å | 1.11Å | |
| O3' | HO31 | sing | 0.97Å | 0.95Å | |
| OP3 | H3P | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 120.0° | 121.1° |
| N1 | C2 | N2 | 115.3° | 118.8° |
| N1 | C2 | N3 | 125.3° | 122.2° |
| N1 | C6 | C5 | 117.4° | 118.6° |
| N1 | C6 | N6 | 118.9° | 120.7° |
| N2 | C2 | N3 | 119.4° | 118.9° |
| C2 | N2 | HN21 | 115.4° | 120.0° |
| C2 | N2 | HN22 | 110.0° | 120.0° |
| C2 | N3 | C4 | 112.3° | 120.7° |
| C5 | C4 | N3 | 127.5° | 119.1° |
| C5 | C4 | N9 | 105.3° | 106.1° |
| C4 | C5 | C6 | 117.5° | 118.3° |
| C4 | C5 | N7 | 111.6° | 107.1° |
| N3 | C4 | N9 | 127.3° | 134.8° |
| C4 | N9 | C8 | 106.3° | 107.4° |
| C4 | N9 | C1' | 126.6° | 126.3° |
| C6 | C5 | N7 | 130.9° | 134.6° |
| C5 | C6 | N6 | 123.7° | 120.7° |
| C5 | N7 | C8 | 103.9° | 109.4° |
| C6 | N6 | HN61 | 118.9° | 120.0° |
| C6 | N6 | HN62 | 108.8° | 120.0° |
| N9 | C8 | N7 | 112.9° | 110.0° |
| N9 | C8 | H81 | 126.0° | 125.0° |
| C8 | N9 | C1' | 127.1° | 126.2° |
| N7 | C8 | H81 | 121.1° | 125.0° |
| HN21 | N2 | HN22 | 110.2° | 120.0° |
| N9 | C1' | O4' | 108.1° | 109.9° |
| N9 | C1' | C2' | 114.8° | 109.9° |
| N9 | C1' | H11 | 105.4° | 109.9° |
| HN61 | N6 | HN62 | 108.7° | 120.0° |
| OP1 | P | OP2 | 119.2° | 109.4° |
| OP1 | P | O5' | 110.4° | 109.5° |
| OP1 | P | OP3 | 104.5° | 109.4° |
| P | OP1 | H1P | 119.2° | 106.8° |
| OP2 | P | O5' | 107.8° | 109.5° |
| OP2 | P | OP3 | 109.0° | 109.5° |
| O5' | P | OP3 | 105.0° | 109.5° |
| P | O5' | C5' | 121.8° | 106.8° |
| P | OP3 | H3P | 104.5° | 106.8° |
| O5' | C5' | C4' | 111.0° | 109.5° |
| O5' | C5' | H52 | 111.7° | 109.5° |
| O5' | C5' | H51 | 111.7° | 109.4° |
| C4' | C5' | H52 | 111.6° | 109.4° |
| C4' | C5' | H51 | 111.6° | 109.5° |
| C5' | C4' | O4' | 110.0° | 110.8° |
| C5' | C4' | C3' | 115.2° | 110.7° |
| C5' | C4' | H4 | 104.1° | 110.5° |
| H52 | C5' | H51 | 98.7° | 109.4° |
| O4' | C4' | C3' | 105.9° | 103.5° |
| O4' | C4' | H4 | 113.6° | 110.5° |
| C4' | O4' | C1' | 109.3° | 106.9° |
| C3' | C4' | H4 | 108.2° | 110.6° |
| C4' | C3' | C2' | 102.6° | 102.1° |
| C4' | C3' | O3' | 108.9° | 110.9° |
| C4' | C3' | H31 | 113.8° | 110.9° |
| O4' | C1' | C2' | 104.7° | 107.4° |
| O4' | C1' | H11 | 115.3° | 109.9° |
| C2' | C1' | H11 | 108.8° | 109.8° |
| C1' | C2' | C3' | 101.3° | 104.2° |
| C1' | C2' | H21 | 115.3° | 110.5° |
| C1' | C2' | H22 | 115.3° | 110.4° |
| C3' | C2' | H21 | 115.4° | 110.5° |
| C3' | C2' | H22 | 115.4° | 110.5° |
| C2' | C3' | O3' | 108.2° | 110.9° |
| C2' | C3' | H31 | 114.3° | 110.9° |
| H21 | C2' | H22 | 95.0° | 110.5° |
| O3' | C3' | H31 | 108.7° | 110.8° |
| C3' | O3' | HO31 | 108.8° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N2 | N3 | 179.8° | 179.8° |
| N1 | C2 | N3 | C4 | 0.2° | 0.5° |
| C2 | N1 | C6 | C5 | 0.2° | 0.2° |
| C2 | N1 | C6 | N6 | 179.7° | 179.9° |
| N1 | C2 | N2 | HN21 | 180.0° | 0.1° |
| N1 | C2 | N2 | HN22 | 54.7° | 179.6° |
| C6 | N1 | C2 | N2 | 179.8° | 179.9° |
| C6 | N1 | C2 | N3 | 0.3° | 0.1° |
| N1 | C6 | C5 | C4 | 0.1° | 0.1° |
| N1 | C6 | C5 | N6 | 179.8° | 179.9° |
| N1 | C6 | C5 | N7 | 179.7° | 179.9° |
| N1 | C6 | N6 | HN61 | 180.0° | 0.1° |
| N1 | C6 | N6 | HN62 | 54.8° | 179.9° |
| N2 | C2 | N3 | C4 | 180.0° | 179.7° |
| C2 | N2 | HN21 | HN22 | 125.3° | 179.7° |
| C2 | N3 | C4 | C5 | 0.1° | 0.6° |
| C2 | N3 | C4 | N9 | 179.9° | 179.8° |
| N3 | C2 | N2 | HN21 | 0.2° | 179.7° |
| N3 | C2 | N2 | HN22 | 125.2° | 0.6° |
| C5 | C4 | N3 | N9 | 179.8° | 179.5° |
| C4 | C5 | C6 | N7 | 179.6° | 180.0° |
| C4 | C5 | C6 | N6 | 179.9° | 180.0° |
| C5 | C4 | N9 | C8 | 0.1° | 0.0° |
| C4 | C5 | N7 | C8 | 0.2° | 0.0° |
| C5 | C4 | N9 | C1' | 179.9° | 179.9° |
| N3 | C4 | C5 | C6 | 0.3° | 0.3° |
| N3 | C4 | C5 | N7 | 180.0° | 179.7° |
| N3 | C4 | N9 | C8 | 179.9° | 179.6° |
| N3 | C4 | N9 | C1' | 0.3° | 0.4° |
| N9 | C4 | C5 | C6 | 179.9° | 180.0° |
| N9 | C4 | C5 | N7 | 0.2° | 0.1° |
| C4 | N9 | C8 | C1' | 179.8° | 180.0° |
| C4 | N9 | C8 | N7 | 0.0° | 0.0° |
| C4 | N9 | C8 | H81 | 180.0° | 179.9° |
| C4 | N9 | C1' | O4' | 95.6° | 151.8° |
| C4 | N9 | C1' | C2' | 147.9° | 90.3° |
| C4 | N9 | C1' | H11 | 28.2° | 30.7° |
| C6 | C5 | N7 | C8 | 179.9° | 180.0° |
| C5 | C6 | N6 | HN61 | 0.2° | 180.0° |
| C5 | C6 | N6 | HN62 | 125.0° | 0.1° |
| N7 | C5 | C6 | N6 | 0.5° | 0.0° |
| C5 | N7 | C8 | N9 | 0.2° | 0.0° |
| C5 | N7 | C8 | H81 | 179.9° | 180.0° |
| C6 | N6 | HN61 | HN62 | 125.3° | 180.0° |
| N9 | C8 | N7 | H81 | 180.0° | 180.0° |
| C8 | N9 | C1' | O4' | 84.7° | 28.2° |
| C8 | N9 | C1' | C2' | 31.8° | 89.7° |
| C8 | N9 | C1' | H11 | 151.5° | 149.3° |
| N7 | C8 | N9 | C1' | 179.7° | 180.0° |
| H81 | C8 | N9 | C1' | 0.2° | 0.1° |
| N9 | C1' | O4' | C4' | 150.9° | 145.8° |
| N9 | C1' | O4' | C2' | 122.8° | 119.5° |
| N9 | C1' | O4' | H11 | 117.7° | 121.0° |
| N9 | C1' | C2' | H11 | 117.8° | 121.0° |
| N9 | C1' | C2' | C3' | 158.2° | 121.5° |
| N9 | C1' | C2' | H21 | 76.5° | 119.8° |
| N9 | C1' | C2' | H22 | 32.9° | 2.8° |
| OP1 | P | OP2 | O5' | 126.8° | 120.0° |
| OP1 | P | OP2 | OP3 | 119.7° | 120.0° |
| OP1 | P | O5' | OP3 | 112.1° | 120.0° |
| OP1 | P | O5' | C5' | 59.0° | 180.0° |
| OP1 | P | OP3 | H3P | 180.0° | 60.0° |
| OP2 | P | O5' | OP3 | 116.1° | 120.1° |
| OP2 | P | OP1 | H1P | 180.0° | 60.0° |
| OP2 | P | O5' | C5' | 169.2° | 60.0° |
| OP2 | P | OP3 | H3P | 51.5° | 180.0° |
| O5' | P | OP1 | H1P | 54.4° | 180.0° |
| P | O5' | C5' | C4' | 166.2° | 180.0° |
| P | O5' | C5' | H52 | 68.5° | 60.0° |
| P | O5' | C5' | H51 | 41.0° | 60.0° |
| O5' | P | OP3 | H3P | 63.8° | 60.0° |
| OP3 | P | OP1 | H1P | 58.0° | 60.0° |
| OP3 | P | O5' | C5' | 53.1° | 60.1° |
| O5' | C5' | C4' | H52 | 125.3° | 120.0° |
| O5' | C5' | C4' | H51 | 125.3° | 120.0° |
| O5' | C5' | H52 | H51 | 117.6° | 119.9° |
| O5' | C5' | C4' | O4' | 73.8° | 65.7° |
| O5' | C5' | C4' | C3' | 45.8° | 180.0° |
| O5' | C5' | C4' | H4 | 164.1° | 57.1° |
| C4' | C5' | H52 | H51 | 117.5° | 120.0° |
| C5' | C4' | O4' | C3' | 125.1° | 118.7° |
| C5' | C4' | O4' | H4 | 116.2° | 122.8° |
| C5' | C4' | C3' | H4 | 116.0° | 122.8° |
| C5' | C4' | O4' | C1' | 129.9° | 158.5° |
| C5' | C4' | C3' | C2' | 101.6° | 155.7° |
| C5' | C4' | C3' | O3' | 143.8° | 86.0° |
| C5' | C4' | C3' | H31 | 22.4° | 37.5° |
| H52 | C5' | C4' | O4' | 160.9° | 54.3° |
| H52 | C5' | C4' | C3' | 79.5° | 60.0° |
| H52 | C5' | C4' | H4 | 38.8° | 177.2° |
| H51 | C5' | C4' | O4' | 51.5° | 174.2° |
| H51 | C5' | C4' | C3' | 171.1° | 60.0° |
| H51 | C5' | C4' | H4 | 70.6° | 62.9° |
| O4' | C4' | C3' | H4 | 122.2° | 118.4° |
| C4' | O4' | C1' | C2' | 28.1° | 26.3° |
| C4' | O4' | C1' | H11 | 91.4° | 93.1° |
| O4' | C4' | C3' | C2' | 20.2° | 36.9° |
| O4' | C4' | C3' | O3' | 94.4° | 155.2° |
| O4' | C4' | C3' | H31 | 144.2° | 81.3° |
| C3' | C4' | O4' | C1' | 4.8° | 39.9° |
| C4' | C3' | C2' | C1' | 35.6° | 20.9° |
| C4' | C3' | C2' | O3' | 115.0° | 118.2° |
| C4' | C3' | C2' | H31 | 123.7° | 118.2° |
| C4' | C3' | C2' | H21 | 160.9° | 97.8° |
| C4' | C3' | C2' | H22 | 89.7° | 139.5° |
| C4' | C3' | O3' | H31 | 124.5° | 123.6° |
| C4' | C3' | O3' | HO31 | 180.0° | 174.2° |
| H4 | C4' | O4' | C1' | 113.8° | 78.6° |
| H4 | C4' | C3' | C2' | 142.4° | 81.5° |
| H4 | C4' | C3' | O3' | 27.8° | 36.8° |
| H4 | C4' | C3' | H31 | 93.6° | 160.3° |
| O4' | C1' | C2' | H11 | 123.8° | 119.4° |
| O4' | C1' | C2' | C3' | 39.8° | 1.9° |
| O4' | C1' | C2' | H21 | 165.1° | 120.7° |
| O4' | C1' | C2' | H22 | 85.5° | 116.7° |
| C1' | C2' | C3' | H21 | 125.3° | 118.8° |
| C1' | C2' | C3' | H22 | 125.3° | 118.6° |
| C1' | C2' | H21 | H22 | 121.1° | 122.6° |
| C1' | C2' | C3' | O3' | 79.4° | 139.1° |
| C1' | C2' | C3' | H31 | 159.3° | 97.3° |
| H11 | C1' | C2' | C3' | 84.0° | 117.5° |
| H11 | C1' | C2' | H21 | 41.3° | 1.2° |
| H11 | C1' | C2' | H22 | 150.7° | 123.8° |
| C3' | C2' | H21 | H22 | 121.2° | 122.6° |
| C2' | C3' | O3' | H31 | 124.7° | 123.7° |
| C2' | C3' | O3' | HO31 | 69.1° | 61.4° |
| H21 | C2' | C3' | O3' | 45.9° | 20.4° |
| H21 | C2' | C3' | H31 | 75.4° | 144.0° |
| H22 | C2' | C3' | O3' | 155.4° | 102.2° |
| H22 | C2' | C3' | H31 | 34.1° | 21.4° |
| H31 | C3' | O3' | HO31 | 55.6° | 62.3° |
