4AC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP3 | P | sing | 1.62Å | 18.60Å | |
| OP3 | HOP3 | sing | 0.98Å | 0.95Å | |
| P | OP1 | doub | 1.50Å | 1.49Å | |
| P | OP2 | sing | 1.62Å | 1.50Å | |
| P | O5' | sing | 1.62Å | 1.59Å | |
| OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
| O5' | C5' | sing | 1.42Å | 1.45Å | |
| C5' | C4' | sing | 1.52Å | 1.51Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.41Å | |
| C4' | C3' | sing | 1.52Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.51Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.41Å | 1.42Å | |
| C2' | C1' | sing | 1.52Å | 1.52Å | |
| C2' | H2' | sing | 1.10Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N1 | sing | 1.43Å | 1.48Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N1 | C2 | sing | 1.42Å | 1.39Å | |
| N1 | C6 | sing | 1.39Å | 1.36Å | |
| C2 | O2 | doub | 1.23Å | 1.23Å | |
| C2 | N3 | sing | 1.38Å | 1.37Å | |
| N3 | C4 | doub | 1.31Å | 1.36Å | |
| C4 | N4 | sing | 1.36Å | 1.33Å | |
| C4 | C5 | sing | 1.49Å | 1.42Å | |
| N4 | C7 | sing | 1.39Å | 1.34Å | |
| N4 | H4 | sing | 1.02Å | 1.00Å | |
| C5 | C6 | doub | 1.33Å | 1.34Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | O7 | doub | 1.23Å | 1.26Å | |
| C7 | CM7 | sing | 1.51Å | 1.52Å | |
| CM7 | HM71 | sing | 1.09Å | 1.10Å | |
| CM7 | HM72 | sing | 1.09Å | 1.10Å | |
| CM7 | HM73 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | OP3 | HOP3 | 51.6° | 119.0° |
| OP3 | P | OP1 | 51.7° | 115.3° |
| OP3 | P | OP2 | 122.6° | 103.3° |
| OP3 | P | O5' | 125.4° | 103.8° |
| OP1 | P | OP2 | 111.8° | 114.9° |
| OP1 | P | O5' | 114.7° | 115.0° |
| OP2 | P | O5' | 111.5° | 102.9° |
| P | OP2 | HOP2 | 109.5° | 119.0° |
| P | O5' | C5' | 121.5° | 118.5° |
| O5' | C5' | C4' | 107.2° | 108.6° |
| O5' | C5' | H5' | 110.7° | 109.2° |
| O5' | C5' | H5'' | 110.2° | 109.3° |
| C4' | C5' | H5' | 110.8° | 110.1° |
| C4' | C5' | H5'' | 110.2° | 110.1° |
| C5' | C4' | O4' | 110.4° | 108.2° |
| C5' | C4' | C3' | 115.1° | 113.3° |
| C5' | C4' | H4' | 103.6° | 109.3° |
| H5' | C5' | H5'' | 107.7° | 109.6° |
| O4' | C4' | C3' | 105.1° | 105.9° |
| O4' | C4' | H4' | 113.9° | 107.7° |
| C4' | O4' | C1' | 110.1° | 109.2° |
| C3' | C4' | H4' | 109.0° | 112.2° |
| C4' | C3' | O3' | 113.6° | 107.9° |
| C4' | C3' | C2' | 101.6° | 102.1° |
| C4' | C3' | H3' | 113.1° | 114.5° |
| O4' | C1' | C2' | 106.5° | 106.5° |
| O4' | C1' | N1 | 110.0° | 109.0° |
| O4' | C1' | H1' | 110.7° | 108.9° |
| O3' | C3' | C2' | 112.7° | 110.3° |
| O3' | C3' | H3' | 102.2° | 107.8° |
| C3' | O3' | HO3' | 109.5° | 106.4° |
| C2' | C3' | H3' | 114.1° | 114.0° |
| C3' | C2' | O2' | 107.2° | 112.3° |
| C3' | C2' | C1' | 102.2° | 102.0° |
| C3' | C2' | H2' | 116.1° | 110.1° |
| O2' | C2' | C1' | 111.3° | 112.6° |
| O2' | C2' | H2' | 107.7° | 108.6° |
| C2' | O2' | HO2' | 109.5° | 107.1° |
| C1' | C2' | H2' | 112.3° | 111.1° |
| C2' | C1' | N1 | 108.2° | 112.5° |
| C2' | C1' | H1' | 112.4° | 112.6° |
| N1 | C1' | H1' | 109.0° | 107.3° |
| C1' | N1 | C2 | 117.2° | 122.0° |
| C1' | N1 | C6 | 122.0° | 118.7° |
| C2 | N1 | C6 | 120.8° | 119.3° |
| N1 | C2 | O2 | 120.2° | 120.9° |
| N1 | C2 | N3 | 117.8° | 118.9° |
| N1 | C6 | C5 | 122.3° | 122.7° |
| N1 | C6 | H6 | 118.9° | 116.1° |
| O2 | C2 | N3 | 122.0° | 120.2° |
| C2 | N3 | C4 | 121.9° | 121.0° |
| N3 | C4 | N4 | 118.7° | 122.3° |
| N3 | C4 | C5 | 119.6° | 121.7° |
| N4 | C4 | C5 | 121.8° | 116.0° |
| C4 | N4 | C7 | 126.1° | 123.7° |
| C4 | N4 | H4 | 116.9° | 118.2° |
| C4 | C5 | C6 | 117.8° | 116.4° |
| C4 | C5 | H5 | 121.1° | 120.7° |
| C7 | N4 | H4 | 116.9° | 118.1° |
| N4 | C7 | O7 | 123.8° | 126.0° |
| N4 | C7 | CM7 | 118.5° | 112.4° |
| C6 | C5 | H5 | 121.1° | 122.9° |
| C5 | C6 | H6 | 118.9° | 121.2° |
| O7 | C7 | CM7 | 117.7° | 121.5° |
| C7 | CM7 | HM71 | 109.5° | 109.5° |
| C7 | CM7 | HM72 | 109.5° | 109.2° |
| C7 | CM7 | HM73 | 109.5° | 111.1° |
| HM71 | CM7 | HM72 | 109.4° | 109.4° |
| HM71 | CM7 | HM73 | 109.5° | 108.3° |
| HM72 | CM7 | HM73 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP3 | P | OP1 | OP2 | 115.1° | 120.0° |
| OP3 | P | OP1 | O5' | 116.7° | 120.7° |
| OP3 | P | OP2 | O5' | 172.6° | 107.7° |
| OP3 | P | OP2 | HOP2 | 146.5° | 78.5° |
| OP3 | P | O5' | C5' | 171.5° | 53.2° |
| HOP3 | OP3 | P | OP1 | 180.0° | 48.7° |
| HOP3 | OP3 | P | OP2 | 86.8° | 77.5° |
| HOP3 | OP3 | P | O5' | 84.8° | 175.4° |
| OP1 | P | OP2 | O5' | 129.9° | 125.8° |
| OP1 | P | OP2 | HOP2 | 156.0° | 48.0° |
| OP1 | P | O5' | C5' | 112.2° | 179.9° |
| OP2 | P | O5' | C5' | 16.1° | 54.2° |
| O5' | P | OP2 | HOP2 | 26.1° | 173.8° |
| P | O5' | C5' | C4' | 124.8° | 180.0° |
| P | O5' | C5' | H5' | 114.3° | 59.9° |
| P | O5' | C5' | H5'' | 4.8° | 59.9° |
| O5' | C5' | C4' | H5' | 120.9° | 119.5° |
| O5' | C5' | C4' | H5'' | 120.0° | 119.6° |
| O5' | C5' | H5' | H5'' | 120.6° | 119.6° |
| O5' | C5' | C4' | O4' | 35.5° | 62.4° |
| O5' | C5' | C4' | C3' | 83.3° | 179.5° |
| O5' | C5' | C4' | H4' | 157.7° | 54.6° |
| C4' | C5' | H5' | H5'' | 120.6° | 121.2° |
| C5' | C4' | O4' | C3' | 124.7° | 121.7° |
| C5' | C4' | O4' | H4' | 116.0° | 118.1° |
| C5' | C4' | C3' | H4' | 115.9° | 124.4° |
| C5' | C4' | O4' | C1' | 146.9° | 109.0° |
| C5' | C4' | C3' | O3' | 80.8° | 156.8° |
| C5' | C4' | C3' | C2' | 157.9° | 86.9° |
| C5' | C4' | C3' | H3' | 35.1° | 36.8° |
| H5' | C5' | C4' | O4' | 85.4° | 57.1° |
| H5' | C5' | C4' | C3' | 155.8° | 60.0° |
| H5' | C5' | C4' | H4' | 36.8° | 174.1° |
| H5'' | C5' | C4' | O4' | 155.4° | 178.0° |
| H5'' | C5' | C4' | C3' | 36.7° | 60.9° |
| H5'' | C5' | C4' | H4' | 82.3° | 65.0° |
| O4' | C4' | C3' | H4' | 122.4° | 117.2° |
| O4' | C4' | C3' | O3' | 157.5° | 84.7° |
| O4' | C4' | C3' | C2' | 36.2° | 31.5° |
| O4' | C4' | C3' | H3' | 86.6° | 155.2° |
| C4' | O4' | C1' | C2' | 1.3° | 11.3° |
| C4' | O4' | C1' | N1 | 115.8° | 132.9° |
| C4' | O4' | C1' | H1' | 123.7° | 110.3° |
| C3' | C4' | O4' | C1' | 22.1° | 12.8° |
| C4' | C3' | O3' | C2' | 114.9° | 110.7° |
| C4' | C3' | O3' | H3' | 122.2° | 124.2° |
| C4' | C3' | C2' | H3' | 122.1° | 124.0° |
| C4' | C3' | O3' | HO3' | 33.3° | 15.2° |
| C4' | C3' | C2' | O2' | 81.3° | 158.0° |
| C4' | C3' | C2' | C1' | 35.8° | 37.1° |
| C4' | C3' | C2' | H2' | 158.3° | 80.9° |
| H4' | C4' | O4' | C1' | 97.1° | 133.0° |
| H4' | C4' | C3' | O3' | 35.1° | 32.5° |
| H4' | C4' | C3' | C2' | 86.3° | 148.7° |
| H4' | C4' | C3' | H3' | 151.0° | 87.6° |
| O4' | C1' | C2' | C3' | 23.8° | 30.7° |
| O4' | C1' | C2' | O2' | 90.3° | 151.3° |
| O4' | C1' | C2' | N1 | 118.3° | 119.3° |
| O4' | C1' | C2' | H1' | 121.3° | 119.3° |
| O4' | C1' | C2' | H2' | 148.9° | 86.6° |
| O4' | C1' | N1 | H1' | 121.5° | 117.7° |
| O4' | C1' | N1 | C2 | 160.3° | 147.8° |
| O4' | C1' | N1 | C6 | 21.6° | 32.3° |
| O3' | C3' | C2' | H3' | 115.9° | 121.5° |
| O3' | C3' | C2' | O2' | 40.6° | 43.5° |
| O3' | C3' | C2' | C1' | 157.8° | 77.4° |
| O3' | C3' | C2' | H2' | 79.7° | 164.6° |
| C2' | C3' | O3' | HO3' | 81.6° | 95.6° |
| C3' | C2' | O2' | C1' | 111.0° | 114.5° |
| C3' | C2' | O2' | H2' | 125.6° | 122.0° |
| C3' | C2' | C1' | H2' | 125.1° | 117.3° |
| C3' | C2' | O2' | HO2' | 120.7° | 168.8° |
| C3' | C2' | C1' | N1 | 94.4° | 150.0° |
| C3' | C2' | C1' | H1' | 145.2° | 88.5° |
| H3' | C3' | O3' | HO3' | 155.5° | 139.4° |
| H3' | C3' | C2' | O2' | 156.5° | 78.0° |
| H3' | C3' | C2' | C1' | 86.3° | 161.1° |
| H3' | C3' | C2' | H2' | 36.2° | 43.1° |
| O2' | C2' | C1' | H2' | 120.8° | 122.1° |
| O2' | C2' | C1' | N1 | 151.4° | 89.4° |
| O2' | C2' | C1' | H1' | 31.0° | 32.1° |
| C1' | C2' | O2' | HO2' | 9.8° | 54.3° |
| C2' | C1' | N1 | H1' | 122.5° | 124.4° |
| C2' | C1' | N1 | C2 | 83.8° | 94.4° |
| C2' | C1' | N1 | C6 | 94.3° | 85.6° |
| H2' | C2' | O2' | HO2' | 113.7° | 69.2° |
| H2' | C2' | C1' | N1 | 30.6° | 32.7° |
| H2' | C2' | C1' | H1' | 89.8° | 154.2° |
| C1' | N1 | C2 | C6 | 178.1° | 180.0° |
| C1' | N1 | C2 | O2 | 1.4° | 0.0° |
| C1' | N1 | C2 | N3 | 179.1° | 180.0° |
| C1' | N1 | C6 | C5 | 179.1° | 180.0° |
| C1' | N1 | C6 | H6 | 0.9° | 0.0° |
| H1' | C1' | N1 | C2 | 38.8° | 30.0° |
| H1' | C1' | N1 | C6 | 143.1° | 150.0° |
| N1 | C2 | O2 | N3 | 179.4° | 180.0° |
| N1 | C2 | N3 | C4 | 0.6° | 0.0° |
| C2 | N1 | C6 | C5 | 1.1° | 0.0° |
| C2 | N1 | C6 | H6 | 178.9° | 180.0° |
| C6 | N1 | C2 | O2 | 179.6° | 180.0° |
| C6 | N1 | C2 | N3 | 1.0° | 0.0° |
| N1 | C6 | C5 | C4 | 0.7° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | H5 | 179.4° | 180.0° |
| O2 | C2 | N3 | C4 | 180.0° | 180.0° |
| C2 | N3 | C4 | N4 | 179.3° | 180.0° |
| C2 | N3 | C4 | C5 | 0.2° | 0.0° |
| N3 | C4 | N4 | C5 | 179.1° | 180.0° |
| N3 | C4 | N4 | C7 | 178.9° | 0.1° |
| N3 | C4 | N4 | H4 | 1.1° | 180.0° |
| N3 | C4 | C5 | C6 | 0.2° | 0.0° |
| N3 | C4 | C5 | H5 | 179.8° | 180.0° |
| C4 | N4 | C7 | H4 | 180.0° | 179.9° |
| N4 | C4 | C5 | C6 | 179.3° | 180.0° |
| N4 | C4 | C5 | H5 | 0.7° | 0.0° |
| C4 | N4 | C7 | O7 | 2.5° | 0.1° |
| C4 | N4 | C7 | CM7 | 176.6° | 178.5° |
| C5 | C4 | N4 | C7 | 2.0° | 179.9° |
| C5 | C4 | N4 | H4 | 178.0° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.4° | 180.0° |
| N4 | C7 | O7 | CM7 | 179.1° | 178.5° |
| N4 | C7 | CM7 | HM71 | 137.3° | 155.0° |
| N4 | C7 | CM7 | HM72 | 17.3° | 85.3° |
| N4 | C7 | CM7 | HM73 | 102.7° | 35.4° |
| H4 | N4 | C7 | O7 | 177.6° | 180.0° |
| H4 | N4 | C7 | CM7 | 3.3° | 1.4° |
| H5 | C5 | C6 | H6 | 0.6° | 0.0° |
| O7 | C7 | CM7 | HM71 | 43.6° | 26.3° |
| O7 | C7 | CM7 | HM72 | 163.5° | 93.4° |
| O7 | C7 | CM7 | HM73 | 76.5° | 145.9° |
| C7 | CM7 | HM71 | HM72 | 120.0° | 119.6° |
| C7 | CM7 | HM71 | HM73 | 120.1° | 121.3° |
| C7 | CM7 | HM72 | HM73 | 120.1° | 121.7° |
| HM71 | CM7 | HM72 | HM73 | 120.0° | 118.4° |
