X3J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C' | O1' | sing | 1.34Å | 1.26Å | |
| C' | O2' | doub | 1.21Å | 1.25Å | |
| C' | C1 | sing | 1.51Å | 1.54Å | |
| C1 | CAP | sing | 1.53Å | 1.55Å | |
| C3 | N3 | sing | 1.47Å | 1.48Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| O3 | CAP | sing | 1.43Å | 1.44Å | |
| CM3 | O3' | sing | 1.34Å | 1.25Å | |
| CM3 | CAP | sing | 1.51Å | 1.55Å | |
| CM3 | OAF | doub | 1.21Å | 1.25Å | |
| C4 | N4 | sing | 1.47Å | 1.48Å | |
| N4 | C4' | sing | 1.35Å | 1.33Å | |
| C4' | O4 | doub | 1.21Å | 1.24Å | |
| C4' | CM4 | sing | 1.51Å | 1.55Å | |
| CM4 | CAP | sing | 1.53Å | 1.55Å | |
| O1' | H1' | sing | 0.97Å | 0.95Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| N3 | H31N | sing | 1.01Å | 1.00Å | |
| N3 | H32N | sing | 1.01Å | 1.00Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| O3' | H3' | sing | 0.97Å | 0.95Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| CM4 | HM41 | sing | 1.09Å | 1.10Å | |
| CM4 | HM42 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1' | C' | O2' | 126.2° | 120.0° |
| O1' | C' | C1 | 118.9° | 120.0° |
| C' | O1' | H1' | 109.5° | 117.0° |
| O2' | C' | C1 | 114.9° | 120.0° |
| C' | C1 | CAP | 117.5° | 109.5° |
| C' | C1 | H11C | 106.9° | 109.4° |
| C' | C1 | H12C | 105.0° | 109.5° |
| C1 | CAP | O3 | 110.6° | 109.5° |
| C1 | CAP | CM3 | 106.2° | 109.5° |
| C1 | CAP | CM4 | 110.4° | 109.4° |
| CAP | C1 | H11C | 106.9° | 109.5° |
| CAP | C1 | H12C | 105.0° | 109.5° |
| N3 | C3 | C4 | 108.5° | 109.4° |
| N3 | C3 | H31C | 109.8° | 109.4° |
| N3 | C3 | H32C | 110.0° | 109.5° |
| C3 | N3 | H31N | 109.5° | 111.0° |
| C3 | N3 | H32N | 109.5° | 111.0° |
| C3 | C4 | N4 | 111.2° | 109.5° |
| C4 | C3 | H31C | 109.8° | 109.5° |
| C4 | C3 | H32C | 110.0° | 109.5° |
| C3 | C4 | H41C | 108.9° | 109.5° |
| C3 | C4 | H42C | 108.5° | 109.5° |
| O3 | CAP | CM3 | 110.8° | 109.5° |
| O3 | CAP | CM4 | 108.9° | 109.5° |
| CAP | O3 | H3 | 109.5° | 114.0° |
| O3' | CM3 | CAP | 118.2° | 120.0° |
| O3' | CM3 | OAF | 124.6° | 120.0° |
| CM3 | O3' | H3' | 109.5° | 117.1° |
| CAP | CM3 | OAF | 117.2° | 120.0° |
| CM3 | CAP | CM4 | 109.9° | 109.5° |
| C4 | N4 | C4' | 120.9° | 120.0° |
| N4 | C4 | H41C | 108.9° | 109.5° |
| N4 | C4 | H42C | 108.5° | 109.4° |
| C4 | N4 | H4 | 119.6° | 120.0° |
| N4 | C4' | O4 | 123.6° | 120.1° |
| N4 | C4' | CM4 | 115.2° | 120.0° |
| C4' | N4 | H4 | 119.6° | 120.0° |
| O4 | C4' | CM4 | 121.2° | 120.0° |
| C4' | CM4 | CAP | 111.7° | 109.5° |
| C4' | CM4 | HM41 | 108.7° | 109.4° |
| C4' | CM4 | HM42 | 108.2° | 109.5° |
| CAP | CM4 | HM41 | 108.7° | 109.5° |
| CAP | CM4 | HM42 | 108.2° | 109.5° |
| H11C | C1 | H12C | 116.0° | 109.5° |
| H31C | C3 | H32C | 108.7° | 109.5° |
| H31N | N3 | H32N | 109.4° | 111.0° |
| H41C | C4 | H42C | 110.8° | 109.5° |
| HM41 | CM4 | HM42 | 111.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1' | C' | O2' | C1 | 179.2° | 179.7° |
| O1' | C' | C1 | CAP | 5.9° | 180.0° |
| O1' | C' | C1 | H11C | 114.0° | 60.0° |
| O1' | C' | C1 | H12C | 122.2° | 59.9° |
| O2' | C' | C1 | CAP | 174.8° | 0.3° |
| O2' | C' | O1' | H1' | 0.0° | 0.0° |
| O2' | C' | C1 | H11C | 65.3° | 119.7° |
| O2' | C' | C1 | H12C | 58.5° | 120.3° |
| C' | C1 | CAP | H11C | 120.0° | 119.9° |
| C' | C1 | CAP | H12C | 116.2° | 120.0° |
| C' | C1 | CAP | O3 | 48.1° | 65.0° |
| C' | C1 | CAP | CM3 | 168.4° | 55.0° |
| C' | C1 | CAP | CM4 | 72.5° | 175.0° |
| C1 | C' | O1' | H1' | 179.2° | 179.7° |
| C' | C1 | H11C | H12C | 116.7° | 120.0° |
| C1 | CAP | O3 | CM3 | 117.6° | 120.0° |
| C1 | CAP | O3 | CM4 | 121.5° | 120.0° |
| C1 | CAP | CM3 | O3' | 119.0° | 60.0° |
| C1 | CAP | CM3 | CM4 | 119.5° | 120.0° |
| C1 | CAP | CM3 | OAF | 60.7° | 120.0° |
| C1 | CAP | CM4 | C4' | 178.0° | 180.0° |
| CAP | C1 | H11C | H12C | 116.7° | 120.1° |
| C1 | CAP | O3 | H3 | 163.5° | 60.0° |
| C1 | CAP | CM4 | HM41 | 62.0° | 60.0° |
| C1 | CAP | CM4 | HM42 | 59.0° | 60.0° |
| N3 | C3 | C4 | H31C | 120.0° | 119.9° |
| N3 | C3 | C4 | H32C | 120.4° | 120.0° |
| N3 | C3 | C4 | N4 | 118.9° | 180.0° |
| N3 | C3 | H31C | H32C | 120.4° | 120.0° |
| C3 | N3 | H31N | H32N | 120.0° | 123.9° |
| N3 | C3 | C4 | H41C | 121.2° | 60.0° |
| N3 | C3 | C4 | H42C | 0.4° | 60.0° |
| C3 | C4 | N4 | H41C | 120.0° | 120.0° |
| C3 | C4 | N4 | H42C | 119.3° | 120.0° |
| C3 | C4 | N4 | C4' | 137.5° | 180.0° |
| C4 | C3 | H31C | H32C | 120.4° | 120.0° |
| C4 | C3 | N3 | H31N | 101.9° | 56.1° |
| C4 | C3 | N3 | H32N | 18.0° | 180.0° |
| C3 | C4 | H41C | H42C | 119.3° | 120.1° |
| C3 | C4 | N4 | H4 | 42.5° | 0.0° |
| O3 | CAP | CM3 | O3' | 1.2° | 180.0° |
| O3 | CAP | CM3 | CM4 | 120.4° | 120.0° |
| O3 | CAP | CM3 | OAF | 179.2° | 0.0° |
| O3 | CAP | CM4 | C4' | 56.5° | 60.0° |
| O3 | CAP | C1 | H11C | 168.1° | 55.0° |
| O3 | CAP | C1 | H12C | 68.1° | 175.0° |
| O3 | CAP | CM4 | HM41 | 176.5° | 180.0° |
| O3 | CAP | CM4 | HM42 | 62.6° | 60.0° |
| O3' | CM3 | CAP | OAF | 179.6° | 179.9° |
| O3' | CM3 | CAP | CM4 | 121.6° | 60.0° |
| CM3 | CAP | CM4 | C4' | 65.1° | 60.0° |
| CM3 | CAP | C1 | H11C | 71.6° | 175.0° |
| CM3 | CAP | C1 | H12C | 52.2° | 65.0° |
| CM3 | CAP | O3 | H3 | 79.0° | 180.0° |
| CAP | CM3 | O3' | H3' | 179.6° | 179.9° |
| CM3 | CAP | CM4 | HM41 | 54.9° | 60.0° |
| CM3 | CAP | CM4 | HM42 | 175.9° | 180.0° |
| OAF | CM3 | CAP | CM4 | 58.8° | 120.1° |
| OAF | CM3 | O3' | H3' | 0.0° | 0.0° |
| C4 | N4 | C4' | H4 | 180.0° | 180.0° |
| C4 | N4 | C4' | O4 | 0.8° | 0.0° |
| C4 | N4 | C4' | CM4 | 179.8° | 180.0° |
| N4 | C4 | C3 | H31C | 1.1° | 60.1° |
| N4 | C4 | C3 | H32C | 120.7° | 60.0° |
| N4 | C4 | H41C | H42C | 119.3° | 119.9° |
| N4 | C4' | O4 | CM4 | 179.4° | 180.0° |
| N4 | C4' | CM4 | CAP | 126.0° | 180.0° |
| C4' | N4 | C4 | H41C | 17.5° | 60.0° |
| C4' | N4 | C4 | H42C | 103.2° | 60.0° |
| N4 | C4' | CM4 | HM41 | 114.1° | 60.0° |
| N4 | C4' | CM4 | HM42 | 6.9° | 59.9° |
| O4 | C4' | CM4 | CAP | 53.5° | 0.0° |
| O4 | C4' | N4 | H4 | 179.2° | 180.0° |
| O4 | C4' | CM4 | HM41 | 66.5° | 120.0° |
| O4 | C4' | CM4 | HM42 | 172.5° | 120.0° |
| C4' | CM4 | CAP | HM41 | 120.0° | 120.0° |
| C4' | CM4 | CAP | HM42 | 119.0° | 120.0° |
| CM4 | C4' | N4 | H4 | 0.2° | 0.0° |
| C4' | CM4 | HM41 | HM42 | 119.1° | 120.0° |
| CM4 | CAP | C1 | H11C | 47.5° | 65.0° |
| CM4 | CAP | C1 | H12C | 171.3° | 55.0° |
| CM4 | CAP | O3 | H3 | 42.0° | 60.0° |
| CAP | CM4 | HM41 | HM42 | 119.1° | 120.1° |
| H31C | C3 | N3 | H31N | 18.0° | 176.1° |
| H31C | C3 | N3 | H32N | 138.0° | 60.0° |
| H31C | C3 | C4 | H41C | 118.8° | 180.0° |
| H31C | C3 | C4 | H42C | 120.4° | 59.9° |
| H32C | C3 | N3 | H31N | 137.7° | 63.9° |
| H32C | C3 | N3 | H32N | 102.4° | 60.0° |
| H32C | C3 | C4 | H41C | 0.8° | 60.0° |
| H32C | C3 | C4 | H42C | 120.0° | 180.0° |
| H41C | C4 | N4 | H4 | 162.5° | 120.0° |
| H42C | C4 | N4 | H4 | 76.8° | 120.0° |
