BJE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | doub | 1.22Å | 1.25Å | |
| N3 | C4 | sing | 1.34Å | 1.40Å | |
| N3 | C2 | doub | 1.31Å | 1.41Å | |
| C4 | C5 | sing | 1.42Å | 1.38Å | |
| O2 | C2 | sing | 1.38Å | 1.36Å | |
| O2 | C2' | sing | 1.44Å | 1.43Å | |
| C2 | N1 | sing | 1.38Å | 1.40Å | |
| C2' | C3' | sing | 1.52Å | 1.52Å | |
| C2' | C1' | sing | 1.58Å | 1.51Å | |
| C5 | C6 | doub | 1.35Å | 1.40Å | |
| N1 | C6 | sing | 1.36Å | 1.40Å | |
| N1 | C1' | sing | 1.42Å | 1.48Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.56Å | 1.54Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C1' | O4' | sing | 1.38Å | 1.44Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C4' | O4' | sing | 1.46Å | 1.45Å | |
| O3' | H1 | sing | 0.97Å | 0.95Å | |
| C3' | H2 | sing | 1.09Å | 1.10Å | |
| C2' | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C1' | H6 | sing | 1.09Å | 1.10Å | |
| C4' | H7 | sing | 1.09Å | 1.10Å | |
| C5' | H8 | sing | 1.09Å | 1.10Å | |
| C5' | H9 | sing | 1.09Å | 1.10Å | |
| O5' | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | N3 | 119.1° | 120.3° |
| O4 | C4 | C5 | 119.0° | 120.3° |
| C4 | N3 | C2 | 119.5° | 121.6° |
| N3 | C4 | C5 | 121.8° | 119.3° |
| N3 | C2 | O2 | 132.6° | 128.7° |
| N3 | C2 | N1 | 118.5° | 120.4° |
| C4 | C5 | C6 | 119.3° | 118.8° |
| C4 | C5 | H4 | 120.3° | 120.6° |
| C2 | O2 | C2' | 96.4° | 103.3° |
| O2 | C2 | N1 | 108.6° | 110.8° |
| O2 | C2' | C3' | 127.8° | 122.1° |
| O2 | C2' | C1' | 97.9° | 96.2° |
| O2 | C2' | H3 | 110.8° | 112.6° |
| C2 | N1 | C6 | 121.2° | 119.7° |
| C2 | N1 | C1' | 104.6° | 105.3° |
| C3' | C2' | C1' | 98.4° | 98.1° |
| C2' | C3' | O3' | 112.3° | 110.8° |
| C2' | C3' | C4' | 96.5° | 102.6° |
| C2' | C3' | H2 | 112.0° | 110.9° |
| C3' | C2' | H3 | 109.4° | 112.1° |
| C2' | C1' | N1 | 93.9° | 99.9° |
| C2' | C1' | O4' | 99.4° | 102.4° |
| C1' | C2' | H3 | 109.7° | 113.3° |
| C2' | C1' | H6 | 113.4° | 103.7° |
| C5 | C6 | N1 | 119.6° | 120.1° |
| C6 | C5 | H4 | 120.3° | 120.6° |
| C5 | C6 | H5 | 120.2° | 120.0° |
| C6 | N1 | C1' | 133.3° | 135.0° |
| N1 | C6 | H5 | 120.2° | 119.9° |
| N1 | C1' | O4' | 118.3° | 134.2° |
| N1 | C1' | H6 | 113.9° | 106.7° |
| O3' | C3' | C4' | 109.4° | 110.7° |
| C3' | O3' | H1 | 109.5° | 114.0° |
| O3' | C3' | H2 | 113.5° | 110.7° |
| C3' | C4' | C5' | 109.6° | 110.0° |
| C3' | C4' | O4' | 106.7° | 106.6° |
| C4' | C3' | H2 | 111.9° | 110.8° |
| C3' | C4' | H7 | 111.0° | 110.0° |
| O5' | C5' | C4' | 109.4° | 109.5° |
| O5' | C5' | H8 | 109.5° | 109.5° |
| O5' | C5' | H9 | 109.5° | 109.4° |
| C5' | O5' | H10 | 109.5° | 114.0° |
| C1' | O4' | C4' | 106.3° | 103.9° |
| O4' | C1' | H6 | 114.7° | 106.2° |
| C5' | C4' | O4' | 105.8° | 110.1° |
| C5' | C4' | H7 | 111.1° | 110.1° |
| C4' | C5' | H8 | 109.5° | 109.5° |
| C4' | C5' | H9 | 109.5° | 109.5° |
| O4' | C4' | H7 | 112.3° | 110.1° |
| H8 | C5' | H9 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | N3 | C5 | 176.3° | 180.0° |
| O4 | C4 | N3 | C2 | 175.1° | 179.2° |
| O4 | C4 | C5 | C6 | 175.6° | 178.5° |
| O4 | C4 | C5 | H4 | 4.5° | 1.5° |
| C4 | N3 | C2 | O2 | 173.0° | 178.5° |
| C4 | N3 | C2 | N1 | 0.5° | 1.6° |
| N3 | C4 | C5 | C6 | 0.7° | 1.5° |
| N3 | C4 | C5 | H4 | 179.2° | 178.5° |
| C2 | N3 | C4 | C5 | 1.2° | 0.8° |
| N3 | C2 | O2 | N1 | 174.0° | 180.0° |
| N3 | C2 | O2 | C2' | 133.9° | 151.7° |
| N3 | C2 | N1 | C6 | 0.5° | 3.2° |
| N3 | C2 | N1 | C1' | 170.2° | 176.0° |
| C4 | C5 | C6 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | N1 | 0.3° | 0.1° |
| C4 | C5 | C6 | H5 | 179.7° | 179.8° |
| C2 | O2 | C2' | C3' | 166.5° | 147.9° |
| C2 | O2 | C2' | C1' | 59.4° | 44.3° |
| O2 | C2 | N1 | C6 | 175.5° | 176.8° |
| O2 | C2 | N1 | C1' | 4.8° | 4.0° |
| C2 | O2 | C2' | H3 | 55.2° | 74.1° |
| C2' | O2 | C2 | N1 | 40.1° | 28.4° |
| O2 | C2' | C3' | C1' | 106.9° | 102.6° |
| O2 | C2' | C3' | H3 | 138.7° | 138.2° |
| O2 | C2' | C1' | H3 | 115.5° | 117.9° |
| O2 | C2' | C1' | N1 | 54.8° | 46.3° |
| O2 | C2' | C3' | O3' | 43.0° | 15.6° |
| O2 | C2' | C3' | C4' | 157.1° | 133.8° |
| O2 | C2' | C1' | O4' | 174.3° | 174.1° |
| O2 | C2' | C3' | H2 | 86.1° | 107.8° |
| O2 | C2' | C1' | H6 | 63.4° | 63.8° |
| C2 | N1 | C1' | C2' | 30.4° | 31.2° |
| C2 | N1 | C6 | C5 | 1.0° | 2.5° |
| C2 | N1 | C6 | C1' | 167.6° | 178.9° |
| C2 | N1 | C1' | O4' | 133.3° | 149.4° |
| C2 | N1 | C6 | H5 | 179.0° | 177.5° |
| C2 | N1 | C1' | H6 | 87.4° | 76.4° |
| C3' | C2' | C1' | H3 | 114.2° | 118.4° |
| C3' | C2' | C1' | N1 | 174.9° | 170.0° |
| C2' | C3' | O3' | C4' | 105.9° | 113.2° |
| C2' | C3' | O3' | H2 | 128.4° | 123.5° |
| C2' | C3' | C4' | H2 | 116.9° | 118.5° |
| C3' | C2' | C1' | O4' | 55.4° | 50.4° |
| C2' | C3' | C4' | C5' | 85.3° | 113.8° |
| C2' | C3' | C4' | O4' | 28.9° | 5.5° |
| C2' | C3' | O3' | H1 | 180.0° | 174.7° |
| C3' | C2' | C1' | H6 | 66.9° | 59.9° |
| C2' | C3' | C4' | H7 | 151.6° | 124.8° |
| C2' | C1' | N1 | C6 | 138.6° | 149.8° |
| C2' | C1' | N1 | O4' | 102.9° | 118.2° |
| C2' | C1' | N1 | H6 | 117.8° | 107.6° |
| C1' | C2' | C3' | O3' | 63.9° | 87.0° |
| C1' | C2' | C3' | C4' | 50.2° | 31.2° |
| C2' | C1' | O4' | H6 | 121.3° | 108.4° |
| C2' | C1' | O4' | C4' | 37.0° | 48.1° |
| C1' | C2' | C3' | H2 | 166.9° | 149.6° |
| C5 | C6 | N1 | H5 | 180.0° | 180.0° |
| C5 | C6 | N1 | C1' | 166.6° | 176.4° |
| C6 | N1 | C1' | O4' | 35.7° | 31.6° |
| N1 | C6 | C5 | H4 | 179.7° | 179.9° |
| C6 | N1 | C1' | H6 | 103.6° | 102.6° |
| N1 | C1' | O4' | H6 | 139.0° | 134.4° |
| N1 | C1' | O4' | C4' | 136.6° | 165.4° |
| N1 | C1' | C2' | H3 | 60.7° | 71.6° |
| C1' | N1 | C6 | H5 | 13.4° | 3.6° |
| O3' | C3' | C4' | H2 | 126.6° | 123.3° |
| O3' | C3' | C4' | C5' | 158.2° | 128.0° |
| O3' | C3' | C4' | O4' | 87.6° | 112.7° |
| O3' | C3' | C2' | H3 | 178.3° | 153.7° |
| O3' | C3' | C4' | H7 | 35.2° | 6.5° |
| C3' | C4' | C5' | O5' | 64.3° | 175.0° |
| C3' | C4' | O4' | C1' | 4.7° | 27.3° |
| C3' | C4' | C5' | O4' | 114.8° | 117.1° |
| C3' | C4' | C5' | H7 | 123.1° | 121.4° |
| C3' | C4' | O4' | H7 | 121.9° | 119.3° |
| C4' | C3' | O3' | H1 | 74.1° | 61.5° |
| C4' | C3' | C2' | H3 | 64.2° | 88.0° |
| C3' | C4' | C5' | H8 | 55.7° | 55.0° |
| C3' | C4' | C5' | H9 | 175.7° | 65.0° |
| O5' | C5' | C4' | H8 | 120.0° | 120.1° |
| O5' | C5' | C4' | H9 | 120.0° | 119.9° |
| O5' | C5' | C4' | O4' | 50.5° | 67.8° |
| O5' | C5' | C4' | H7 | 172.6° | 53.6° |
| O5' | C5' | H8 | H9 | 120.1° | 119.9° |
| C1' | O4' | C4' | C5' | 121.5° | 146.5° |
| O4' | C1' | C2' | H3 | 58.8° | 68.0° |
| C1' | O4' | C4' | H7 | 117.2° | 92.0° |
| C5' | C4' | O4' | H7 | 121.4° | 121.5° |
| C5' | C4' | C3' | H2 | 31.6° | 4.7° |
| C4' | C5' | H8 | H9 | 120.0° | 120.0° |
| C4' | C5' | O5' | H10 | 180.0° | 180.0° |
| O4' | C4' | C3' | H2 | 145.8° | 124.0° |
| C4' | O4' | C1' | H6 | 84.4° | 60.3° |
| O4' | C4' | C5' | H8 | 170.5° | 172.1° |
| O4' | C4' | C5' | H9 | 69.5° | 52.1° |
| H1 | O3' | C3' | H2 | 51.6° | 61.8° |
| H2 | C3' | C2' | H3 | 52.5° | 30.3° |
| H2 | C3' | C4' | H7 | 91.5° | 116.7° |
| H3 | C2' | C1' | H6 | 178.9° | 178.3° |
| H4 | C5 | C6 | H5 | 0.3° | 0.2° |
| H7 | C4' | C5' | H8 | 67.4° | 66.4° |
| H7 | C4' | C5' | H9 | 52.6° | 173.6° |
| H8 | C5' | O5' | H10 | 60.0° | 59.9° |
| H9 | C5' | O5' | H10 | 60.0° | 60.1° |
